1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide

C17H26N2O2S — CID 138058152

IUPAC1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(Cc2cccc(C3CCCC3)c2)C1
InChIInChI=1S/C17H26N2O2S/c1-18-22(20,21)17-9-10-19(13-17)12-14-5-4-8-16(11-14)15-6-2-3-7-15/h4-5,8,11,15,17-18H,2-3,6-7,9-10,12-13H2,1H3
InChIKeyCLAQGWUODNRAKR-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.47
Rot. Bonds5

About 1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide

1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide (PubChem CID 138058152) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
PubChem CID138058152
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(Cc2cccc(C3CCCC3)c2)C1
InChIInChI=1S/C17H26N2O2S/c1-18-22(20,21)17-9-10-19(13-17)12-14-5-4-8-16(11-14)15-6-2-3-7-15/h4-5,8,11,15,17-18H,2-3,6-7,9-10,12-13H2,1H3
InChIKeyCLAQGWUODNRAKR-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 100698843
(3S,5R)-1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 156693653
1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 79983915
3-[[(3S)-3-(phenylsulfamoyl)piperidin-1-yl]methyl]benzoic acid
CID 164638668
methyl 2-(3-cyclohexylphenyl)acetate
CID 54492960
N-methyl-1-[3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63167107
1-cyclopentyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]methanesulfonamide
CID 127491738
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 146074496
(3S)-1-[(2,6-difluorophenyl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 97343920
2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one
CID 173107153
N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62439444
2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid
CID 79978496

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide (CID 138058152) is 1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide is CNS(=O)(=O)C1CCN(Cc2cccc(C3CCCC3)c2)C1.
What is the InChIKey of 1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide?
The InChIKey is CLAQGWUODNRAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-18-22(20,21)17-9-10-19(13-17)12-14-5-4-8-16(11-14)15-6-2-3-7-15/h4-5,8,11,15,17-18H,2-3,6-7,9-10,12-13H2,1H3.
What are the key properties of 1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide?
1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide has a molecular weight of 322.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 138058152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).