3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide

C12H18N2O2S2 — CID 113498458

IUPAC3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H18N2O2S2/c1-17-12-7-3-6-11(12)14-18(15,16)10-5-2-4-9(13)8-10/h2,4-5,8,11-12,14H,3,6-7,13H2,1H3
InChIKeyUVJLQNNPURBMPC-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide

3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide (PubChem CID 113498458) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
PubChem CID113498458
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H18N2O2S2/c1-17-12-7-3-6-11(12)14-18(15,16)10-5-2-4-9(13)8-10/h2,4-5,8,11-12,14H,3,6-7,13H2,1H3
InChIKeyUVJLQNNPURBMPC-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 104859269
4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106833406
4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001430
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide
CID 65472151
2-amino-5-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 103823754
3-amino-N-(oxan-4-yl)benzenesulfonamide
CID 43609614
2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide
CID 114122877
4-(aminomethyl)-2-bromo-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091659
3-amino-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949568
3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63983724
methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate
CID 103836287
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 103748807

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide (CID 113498458) is 3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide is CSC1CCCC1NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The InChIKey is UVJLQNNPURBMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-17-12-7-3-6-11(12)14-18(15,16)10-5-2-4-9(13)8-10/h2,4-5,8,11-12,14H,3,6-7,13H2,1H3.
What are the key properties of 3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide has a molecular weight of 286.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 113498458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).