N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide

C14H22N2O2S — CID 60823251

IUPACN-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-15-11-12-7-9-14(10-8-12)19(17,18)16(2)13-5-3-4-6-13/h7-10,13,15H,3-6,11H2,1-2H3
InChIKeySOUSTLANCHBJRQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.97
Rot. Bonds5

About N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide

N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 60823251) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
PubChem CID60823251
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-15-11-12-7-9-14(10-8-12)19(17,18)16(2)13-5-3-4-6-13/h7-10,13,15H,3-6,11H2,1-2H3
InChIKeySOUSTLANCHBJRQ-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62545781
N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 112820136
4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115672016
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
CID 115650746
N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 46494457
N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 54995263
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446
N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824654
4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
CID 18129528
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
N-cyclopentyl-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 105119398

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide (CID 60823251) is N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)N(C)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is SOUSTLANCHBJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-15-11-12-7-9-14(10-8-12)19(17,18)16(2)13-5-3-4-6-13/h7-10,13,15H,3-6,11H2,1-2H3.
What are the key properties of N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 60823251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).