N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide

C17H26N2O2S — CID 110752104

IUPACN-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H26N2O2S/c20-22(21,14-15-6-2-1-3-7-15)18-16-10-12-19(13-11-16)17-8-4-5-9-17/h1-3,6-7,16-18H,4-5,8-14H2
InChIKeyVGFWRDWECADWHU-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.51
Rot. Bonds5

About N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide

N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide (PubChem CID 110752104) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide
PubChem CID110752104
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H26N2O2S/c20-22(21,14-15-6-2-1-3-7-15)18-16-10-12-19(13-11-16)17-8-4-5-9-17/h1-3,6-7,16-18H,4-5,8-14H2
InChIKeyVGFWRDWECADWHU-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide (CID 110752104) is N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide?
The InChIKey is VGFWRDWECADWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-22(21,14-15-6-2-1-3-7-15)18-16-10-12-19(13-11-16)17-8-4-5-9-17/h1-3,6-7,16-18H,4-5,8-14H2.
What are the key properties of N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide?
N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide has a molecular weight of 322.47 g/mol, XLogP of 2.51, 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)-1-phenylmethanesulfonamide is sourced from PubChem (CID 110752104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).