4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide

C11H22ClNO2S2 — CID 105055808

IUPAC4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)CCCCCl
InChIInChI=1S/C11H22ClNO2S2/c1-16-11-7-3-2-6-10(11)13-17(14,15)9-5-4-8-12/h10-11,13H,2-9H2,1H3
InChIKeyGSHYIEKPCBRRFK-UHFFFAOYSA-N
MW299.89 g/mol
LogP2.60
Rot. Bonds7

About 4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide

4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide (PubChem CID 105055808) has the molecular formula C11H22ClNO2S2 and a molecular weight of 299.89 g/mol. Its IUPAC name is 4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide
PubChem CID105055808
Molecular FormulaC11H22ClNO2S2
Molecular Weight299.89 g/mol
Exact Mass299.08
IUPAC Name4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)CCCCCl
InChIInChI=1S/C11H22ClNO2S2/c1-16-11-7-3-2-6-10(11)13-17(14,15)9-5-4-8-12/h10-11,13H,2-9H2,1H3
InChIKeyGSHYIEKPCBRRFK-UHFFFAOYSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.89
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylsulfanylcyclohexyl)-3-(propylamino)propane-1-sulfonamide
CID 106091395
4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide
CID 116815650
6-chloro-N-cyclopentylhexane-1-sulfonamide
CID 22111628
6-chloro-N-cyclohexylhexane-1-sulfonamide
CID 22111516
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
CID 107858978
3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
CID 106364650
2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 115714483
2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide
CID 114122877
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide
CID 107858968
1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide
CID 106001484
3-(methylamino)-N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 106064308
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide (CID 105055808) is 4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide is CSC1CCCCC1NS(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide?
The InChIKey is GSHYIEKPCBRRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S2/c1-16-11-7-3-2-6-10(11)13-17(14,15)9-5-4-8-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide?
4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide has a molecular weight of 299.89 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide is sourced from PubChem (CID 105055808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).