4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide

C13H20N2O2S2 — CID 82901051

IUPAC4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(SC2CCCCC2)c1
InChIInChI=1S/C13H20N2O2S2/c1-15-19(16,17)11-7-8-12(14)13(9-11)18-10-5-3-2-4-6-10/h7-10,15H,2-6,14H2,1H3
InChIKeyFLFLOXHKCKZMHD-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.60
Rot. Bonds4

About 4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide

4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide (PubChem CID 82901051) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide
PubChem CID82901051
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(SC2CCCCC2)c1
InChIInChI=1S/C13H20N2O2S2/c1-15-19(16,17)11-7-8-12(14)13(9-11)18-10-5-3-2-4-6-10/h7-10,15H,2-6,14H2,1H3
InChIKeyFLFLOXHKCKZMHD-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide (CID 82901051) is 4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(SC2CCCCC2)c1.
What is the InChIKey of 4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide?
The InChIKey is FLFLOXHKCKZMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-15-19(16,17)11-7-8-12(14)13(9-11)18-10-5-3-2-4-6-10/h7-10,15H,2-6,14H2,1H3.
What are the key properties of 4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide?
4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 82901051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).