N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide

C13H26N2O2S — CID 130216764

IUPACN-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide
SMILESCC1CCN(CC2(NS(C)(=O)=O)CCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-12-5-9-15(10-6-12)11-13(7-3-4-8-13)14-18(2,16)17/h12,14H,3-11H2,1-2H3
InChIKeyQXYIVFYJPYBVBA-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.58
Rot. Bonds4

About N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide

N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide (PubChem CID 130216764) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide
PubChem CID130216764
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide
SMILESCC1CCN(CC2(NS(C)(=O)=O)CCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-12-5-9-15(10-6-12)11-13(7-3-4-8-13)14-18(2,16)17/h12,14H,3-11H2,1-2H3
InChIKeyQXYIVFYJPYBVBA-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide (CID 130216764) is N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide is CC1CCN(CC2(NS(C)(=O)=O)CCCC2)CC1.
What is the InChIKey of N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide?
The InChIKey is QXYIVFYJPYBVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12-5-9-15(10-6-12)11-13(7-3-4-8-13)14-18(2,16)17/h12,14H,3-11H2,1-2H3.
What are the key properties of N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide?
N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 130216764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).