N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide

C18H28N2O3S — CID 16887704

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-23-17-6-8-18(9-7-17)24(21,22)19-14-15-10-12-20(13-11-15)16-4-2-3-5-16/h6-9,15-16,19H,2-5,10-14H2,1H3
InChIKeyPXSPRUFPNVRWTE-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.63
Rot. Bonds6

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 16887704) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID16887704
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-23-17-6-8-18(9-7-17)24(21,22)19-14-15-10-12-20(13-11-15)16-4-2-3-5-16/h6-9,15-16,19H,2-5,10-14H2,1H3
InChIKeyPXSPRUFPNVRWTE-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide (CID 16887704) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is PXSPRUFPNVRWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-23-17-6-8-18(9-7-17)24(21,22)19-14-15-10-12-20(13-11-15)16-4-2-3-5-16/h6-9,15-16,19H,2-5,10-14H2,1H3.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 16887704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).