N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide

C15H24N2O3S — CID 106093079

IUPACN-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCC(OC)C2)ccc1C
InChIInChI=1S/C15H24N2O3S/c1-11-4-7-15(8-12(11)10-16-2)21(18,19)17-13-5-6-14(9-13)20-3/h4,7-8,13-14,16-17H,5-6,9-10H2,1-3H3
InChIKeyWQYCJJPZRFATCC-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.56
Rot. Bonds6

About N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide

N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106093079) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106093079
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCC(OC)C2)ccc1C
InChIInChI=1S/C15H24N2O3S/c1-11-4-7-15(8-12(11)10-16-2)21(18,19)17-13-5-6-14(9-13)20-3/h4,7-8,13-14,16-17H,5-6,9-10H2,1-3H3
InChIKeyWQYCJJPZRFATCC-UHFFFAOYSA-N
XLogP1.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106069133
3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 114118203
N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106093112
4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 106002176
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091356
4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide
CID 114118595
3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 103082265
N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 106093102
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086442

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide (CID 106093079) is N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)NC2CCC(OC)C2)ccc1C.
What is the InChIKey of N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is WQYCJJPZRFATCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-4-7-15(8-12(11)10-16-2)21(18,19)17-13-5-6-14(9-13)20-3/h4,7-8,13-14,16-17H,5-6,9-10H2,1-3H3.
What are the key properties of N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106093079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).