3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide

C16H26N2O2S — CID 63279537

IUPAC3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCCC(NC)c1cccc(S(=O)(=O)NC2CCCC2C)c1
InChIInChI=1S/C16H26N2O2S/c1-4-15(17-3)13-8-6-9-14(11-13)21(19,20)18-16-10-5-7-12(16)2/h6,8-9,11-12,15-18H,4-5,7,10H2,1-3H3
InChIKeyYFIQDUQEQVHWLG-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.82
Rot. Bonds6

About 3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide

3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide (PubChem CID 63279537) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide
PubChem CID63279537
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCCC(NC)c1cccc(S(=O)(=O)NC2CCCC2C)c1
InChIInChI=1S/C16H26N2O2S/c1-4-15(17-3)13-8-6-9-14(11-13)21(19,20)18-16-10-5-7-12(16)2/h6,8-9,11-12,15-18H,4-5,7,10H2,1-3H3
InChIKeyYFIQDUQEQVHWLG-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465098
3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255
N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 62862419
N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873418
3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 93345301
N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 25044263
2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
CID 60873598
3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62408236
3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904543
N-(2-methylcyclohexyl)-9,10-dioxoanthracene-2-sulfonamide
CID 172880571
N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
CID 61465866
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide (CID 63279537) is 3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide is CCC(NC)c1cccc(S(=O)(=O)NC2CCCC2C)c1.
What is the InChIKey of 3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is YFIQDUQEQVHWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-15(17-3)13-8-6-9-14(11-13)21(19,20)18-16-10-5-7-12(16)2/h6,8-9,11-12,15-18H,4-5,7,10H2,1-3H3.
What are the key properties of 3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide?
3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 63279537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).