3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

C14H22N2O2S — CID 107411115

IUPAC3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(C)C2)cc1N
InChIInChI=1S/C14H22N2O2S/c1-10-3-5-12(7-10)9-16-19(17,18)13-6-4-11(2)14(15)8-13/h4,6,8,10,12,16H,3,5,7,9,15H2,1-2H3
InChIKeyGURKVTQZXGLJBN-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.29
Rot. Bonds4

About 3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 107411115) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID107411115
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(C)C2)cc1N
InChIInChI=1S/C14H22N2O2S/c1-10-3-5-12(7-10)9-16-19(17,18)13-6-4-11(2)14(15)8-13/h4,6,8,10,12,16H,3,5,7,9,15H2,1-2H3
InChIKeyGURKVTQZXGLJBN-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411156
3-amino-4-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725059
6-amino-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107411147
2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411164
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411106
4-(bromomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414936
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422504
3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089862
4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089946
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 107414189
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (CID 107411115) is 3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCC(C)C2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is GURKVTQZXGLJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-3-5-12(7-10)9-16-19(17,18)13-6-4-11(2)14(15)8-13/h4,6,8,10,12,16H,3,5,7,9,15H2,1-2H3.
What are the key properties of 3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 107411115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).