N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide

C16H26N2O2S — CID 106069133

IUPACN-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCC(C)C2C)ccc1C
InChIInChI=1S/C16H26N2O2S/c1-11-6-8-16(13(11)3)18-21(19,20)15-7-5-12(2)14(9-15)10-17-4/h5,7,9,11,13,16-18H,6,8,10H2,1-4H3
InChIKeySNSBOWWKFSCPGJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.43
Rot. Bonds5

About N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide

N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106069133) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106069133
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCC(C)C2C)ccc1C
InChIInChI=1S/C16H26N2O2S/c1-11-6-8-16(13(11)3)18-21(19,20)15-7-5-12(2)14(9-15)10-17-4/h5,7,9,11,13,16-18H,6,8,10H2,1-4H3
InChIKeySNSBOWWKFSCPGJ-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106069106
N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
CID 64920857
N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106093079
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614
N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64910233
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288235
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331807

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide (CID 106069133) is N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)NC2CCC(C)C2C)ccc1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is SNSBOWWKFSCPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-6-8-16(13(11)3)18-21(19,20)15-7-5-12(2)14(9-15)10-17-4/h5,7,9,11,13,16-18H,6,8,10H2,1-4H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106069133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).