2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

C14H22N2O2S — CID 107411164

IUPAC2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCC1CCC(C)C1
InChIInChI=1S/C14H22N2O2S/c1-10-6-7-12(8-10)9-16-19(17,18)14-11(2)4-3-5-13(14)15/h3-5,10,12,16H,6-9,15H2,1-2H3
InChIKeyGPMNIQOCPZMMHQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.29
Rot. Bonds4

About 2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 107411164) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID107411164
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCC1CCC(C)C1
InChIInChI=1S/C14H22N2O2S/c1-10-6-7-12(8-10)9-16-19(17,18)14-11(2)4-3-5-13(14)15/h3-5,10,12,16H,6-9,15H2,1-2H3
InChIKeyGPMNIQOCPZMMHQ-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-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411106
3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411115
2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 104859207
3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
CID 43257138
2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide
CID 106006663
3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411156
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide
CID 61466874
2-amino-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107411108
2-amino-6-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62397102
2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
CID 43452334
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide
CID 63294178

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (CID 107411164) is 2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NCC1CCC(C)C1.
What is the InChIKey of 2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is GPMNIQOCPZMMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-6-7-12(8-10)9-16-19(17,18)14-11(2)4-3-5-13(14)15/h3-5,10,12,16H,6-9,15H2,1-2H3.
What are the key properties of 2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
2-amino-6-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 2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 107411164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).