N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide

C16H26N2O2S — CID 106066098

IUPACN-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)C2CCCC2)ccc1C
InChIInChI=1S/C16H26N2O2S/c1-12-8-9-16(10-15(12)11-17-3)21(19,20)18-13(2)14-6-4-5-7-14/h8-10,13-14,17-18H,4-7,11H2,1-3H3
InChIKeyQPFYZMUWAYZMLJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.57
Rot. Bonds6

About N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide

N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106066098) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106066098
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)C2CCCC2)ccc1C
InChIInChI=1S/C16H26N2O2S/c1-12-8-9-16(10-15(12)11-17-3)21(19,20)18-13(2)14-6-4-5-7-14/h8-10,13-14,17-18H,4-7,11H2,1-3H3
InChIKeyQPFYZMUWAYZMLJ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
CID 106084883
N-(1-cyclobutylethyl)-4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084928
N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106833286
4-(aminomethyl)-N-(1-cyclobutylethyl)-3-methylbenzenesulfonamide
CID 106919604
N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106066113
N-(1-cyclopentylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106066120
3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide
CID 106066129
N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106084917
N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056840

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide (CID 106066098) is N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)NC(C)C2CCCC2)ccc1C.
What is the InChIKey of N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is QPFYZMUWAYZMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12-8-9-16(10-15(12)11-17-3)21(19,20)18-13(2)14-6-4-5-7-14/h8-10,13-14,17-18H,4-7,11H2,1-3H3.
What are the key properties of N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106066098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).