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

HCID 64587

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Basic information

CAS: 116943-56-7
Standard SMILES: O=C(NS(=O)(=O)NC12CC3CC(CC(C3)C1)C2)OCCCl
InChIKey: COMMQFBYMKZQKX-UHFFFAOYSA-N
Molecular formula: C13H21ClN2O4S
Average molar mass: 336.84 g/mol
Monoisotopic mass: 336.091056

Names & identifiers

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

Names & synonyms

116943-56-72-Chloroethyl ((tricyclo(3.3.1.1(sup 3,7))decylamino)sulfonyl)carbamateCarbamic acid, ((tricyclo(3.3.1.1(sup 3,7))decylamino)sulfonyl)-, 2-chloroethyl esterDTXSID40151585N-(Chloro-2 ethoxycarbonyl) N'-(adamantyl) sulfamide [French]N-(Chloro-2 ethoxycarbonyl) N'-(adamantyl) sulfamideRefChem:331730DTXCID30740762-Chloroethyl [(adamantan-1-yl)sulfamoyl]carbamate

Database identifiers

CAS: 116943-56-7
PubChem CID: 64587
DTXSID: DTXSID40151585

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 92.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 475

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