N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide

C16H26N2O2S — CID 106064198

IUPACN-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccccc1S(=O)(=O)NC1CCCC1C
InChIInChI=1S/C16H26N2O2S/c1-12(2)17-11-14-8-4-5-10-16(14)21(19,20)18-15-9-6-7-13(15)3/h4-5,8,10,12-13,15,17-18H,6-7,9,11H2,1-3H3
InChIKeyPUQDULSZUSOHII-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.65
Rot. Bonds6

About N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide

N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 106064198) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID106064198
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccccc1S(=O)(=O)NC1CCCC1C
InChIInChI=1S/C16H26N2O2S/c1-12(2)17-11-14-8-4-5-10-16(14)21(19,20)18-15-9-6-7-13(15)3/h4-5,8,10,12-13,15,17-18H,6-7,9,11H2,1-3H3
InChIKeyPUQDULSZUSOHII-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106064258
N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106064252
N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106031977
N-(1-methylsulfanylpropan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106079555
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222
N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106032301
N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 115409112
2-bromo-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928444
2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076318
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116311
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064380

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 106064198) is N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide is CC(C)NCc1ccccc1S(=O)(=O)NC1CCCC1C.
What is the InChIKey of N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is PUQDULSZUSOHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(2)17-11-14-8-4-5-10-16(14)21(19,20)18-15-9-6-7-13(15)3/h4-5,8,10,12-13,15,17-18H,6-7,9,11H2,1-3H3.
What are the key properties of N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 106064198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).