2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide

C15H24N2O2S2 — CID 107411064

IUPAC2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide
SMILESCC1CCC(CNS(=O)(=O)CCSc2cccc(N)c2)C1
InChIInChI=1S/C15H24N2O2S2/c1-12-5-6-13(9-12)11-17-21(18,19)8-7-20-15-4-2-3-14(16)10-15/h2-4,10,12-13,17H,5-9,11,16H2,1H3
InChIKeyQVTXFTILVASECI-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.72
Rot. Bonds7

About 2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide

2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide (PubChem CID 107411064) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide
PubChem CID107411064
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide
SMILESCC1CCC(CNS(=O)(=O)CCSc2cccc(N)c2)C1
InChIInChI=1S/C15H24N2O2S2/c1-12-5-6-13(9-12)11-17-21(18,19)8-7-20-15-4-2-3-14(16)10-15/h2-4,10,12-13,17H,5-9,11,16H2,1H3
InChIKeyQVTXFTILVASECI-UHFFFAOYSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.72
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 2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide (CID 107411064) is 2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide is CC1CCC(CNS(=O)(=O)CCSc2cccc(N)c2)C1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide?
The InChIKey is QVTXFTILVASECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-12-5-6-13(9-12)11-17-21(18,19)8-7-20-15-4-2-3-14(16)10-15/h2-4,10,12-13,17H,5-9,11,16H2,1H3.
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide?
2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide is sourced from PubChem (CID 107411064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).