N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide

C16H26N2O2S — CID 106094503

IUPACN-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCCC2CCCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-17-13-15-8-4-10-16(12-15)21(19,20)18-11-5-9-14-6-2-3-7-14/h4,8,10,12,14,17-18H,2-3,5-7,9,11,13H2,1H3
InChIKeyJVRHKNCFHUXPOP-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.65
Rot. Bonds8

About N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide

N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106094503) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106094503
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCCC2CCCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-17-13-15-8-4-10-16(12-15)21(19,20)18-11-5-9-14-6-2-3-7-14/h4,8,10,12,14,17-18H,2-3,5-7,9,11,13H2,1H3
InChIKeyJVRHKNCFHUXPOP-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682
3-(methylaminomethyl)-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106077992
3-(methylaminomethyl)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072115
N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60915978
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113498451
N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 114138869
3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091710
3-(methylaminomethyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 106077063
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106094104
3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide
CID 55585732

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide (CID 106094503) is N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)NCCCC2CCCC2)c1.
What is the InChIKey of N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is JVRHKNCFHUXPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-17-13-15-8-4-10-16(12-15)21(19,20)18-11-5-9-14-6-2-3-7-14/h4,8,10,12,14,17-18H,2-3,5-7,9,11,13H2,1H3.
What are the key properties of N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide?
N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106094503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).