2-amino-N-cyclopentyl-N-methylbenzenesulfonamide

C12H18N2O2S — CID 43266885

IUPAC2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C12H18N2O2S/c1-14(10-6-2-3-7-10)17(15,16)12-9-5-4-8-11(12)13/h4-5,8-10H,2-3,6-7,13H2,1H3
InChIKeyHLQYHFYUBGXYDN-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.83
Rot. Bonds3

About 2-amino-N-cyclopentyl-N-methylbenzenesulfonamide

2-amino-N-cyclopentyl-N-methylbenzenesulfonamide (PubChem CID 43266885) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
PubChem CID43266885
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C12H18N2O2S/c1-14(10-6-2-3-7-10)17(15,16)12-9-5-4-8-11(12)13/h4-5,8-10H,2-3,6-7,13H2,1H3
InChIKeyHLQYHFYUBGXYDN-UHFFFAOYSA-N
XLogP1.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
2-amino-5-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 54888604
2-[cycloheptyl(methyl)sulfamoyl]benzoic acid
CID 43613846
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide
CID 43577802
3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 112823940
3-amino-N-cyclopropyl-N-methyl-2-nitrobenzenesulfonamide
CID 112675309
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343235
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547629
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-cyclopentyl-N-methylbenzenesulfonamide (CID 43266885) is 2-amino-N-cyclopentyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-cyclopentyl-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-cyclopentyl-N-methylbenzenesulfonamide is CN(C1CCCC1)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-cyclopentyl-N-methylbenzenesulfonamide?
The InChIKey is HLQYHFYUBGXYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-14(10-6-2-3-7-10)17(15,16)12-9-5-4-8-11(12)13/h4-5,8-10H,2-3,6-7,13H2,1H3.
What are the key properties of 2-amino-N-cyclopentyl-N-methylbenzenesulfonamide?
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43266885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).