2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide

C15H24N2O2S — CID 106006663

IUPAC2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCCCC1CCCC1
InChIInChI=1S/C15H24N2O2S/c1-12-6-4-10-14(16)15(12)20(18,19)17-11-5-9-13-7-2-3-8-13/h4,6,10,13,17H,2-3,5,7-9,11,16H2,1H3
InChIKeyBCTACYNSJSQBNE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.83
Rot. Bonds6

About 2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide

2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide (PubChem CID 106006663) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide
PubChem CID106006663
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCCCC1CCCC1
InChIInChI=1S/C15H24N2O2S/c1-12-6-4-10-14(16)15(12)20(18,19)17-11-5-9-13-7-2-3-8-13/h4,6,10,13,17H,2-3,5,7-9,11,16H2,1H3
InChIKeyBCTACYNSJSQBNE-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide
CID 63825126
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459
2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55097806
2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411164
2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
CID 43452334
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide
CID 63294178
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide
CID 106899187
3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113498451
2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
CID 62407142

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide (CID 106006663) is 2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NCCCC1CCCC1.
What is the InChIKey of 2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide?
The InChIKey is BCTACYNSJSQBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-6-4-10-14(16)15(12)20(18,19)17-11-5-9-13-7-2-3-8-13/h4,6,10,13,17H,2-3,5,7-9,11,16H2,1H3.
What are the key properties of 2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide?
2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 106006663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).