Carbamic acid, methyl((tricyclo(3.3.1.1(sup 3,7))decylamino)sulfonyl)-, 2-chloroethyl ester

HCID 64589

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Basic information

CAS: 116943-76-1
Standard SMILES: O=C(NCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2)OCCCl
InChIKey: XWBDOMKCUBLPCT-UHFFFAOYSA-N
Molecular formula: C14H23ClN2O4S
Average molar mass: 350.9 g/mol
Monoisotopic mass: 350.1067061

Names & identifiers

Preferred name: Carbamic acid, methyl((tricyclo(3.3.1.1(sup 3,7))decylamino)sulfonyl)-, 2-chloroethyl ester
IUPAC: 2-chloroethyl N-(1-adamantylsulfamoylmethyl)carbamate

Names & synonyms

116943-76-12-Chloroethyl methyl((tricyclo(3.3.1.1(sup 3,7))decylamino)sulfonyl)carbamateCarbamic acid, methyl((tricyclo(3.3.1.1(sup 3,7))decylamino)sulfonyl)-, 2-chloroethyl esterDTXSID60151603N-Methyl N-(chloro-2 ethoxycarbonyl) N'-(adamantyle) sulfamide [French]N-Methyl N-(chloro-2 ethoxycarbonyl) N'-(adamantyle) sulfamideRefChem:332508DTXCID10740942-Chloroethyl {[(adamantan-1-yl)sulfamoyl]methyl}carbamate

Database identifiers

CAS: 116943-76-1
PubChem CID: 64589
DTXSID: DTXSID60151603

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 92.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 490

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