N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide

C19H30N2O2S — CID 16887727

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C19H30N2O2S/c1-15-7-8-16(2)19(13-15)24(22,23)20-14-17-9-11-21(12-10-17)18-5-3-4-6-18/h7-8,13,17-18,20H,3-6,9-12,14H2,1-2H3
InChIKeyAYYRBVOZYNKWRQ-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.24
Rot. Bonds5

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 16887727) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID16887727
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C19H30N2O2S/c1-15-7-8-16(2)19(13-15)24(22,23)20-14-17-9-11-21(12-10-17)18-5-3-4-6-18/h7-8,13,17-18,20H,3-6,9-12,14H2,1-2H3
InChIKeyAYYRBVOZYNKWRQ-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887877
2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640329
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888133
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 121110017
2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 63009066
N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110736222
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715
5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887571
2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109576
2-methoxy-5-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640333

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide (CID 16887727) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is AYYRBVOZYNKWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-15-7-8-16(2)19(13-15)24(22,23)20-14-17-9-11-21(12-10-17)18-5-3-4-6-18/h7-8,13,17-18,20H,3-6,9-12,14H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 350.53 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 16887727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).