N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide

C11H16ClN3O2S — CID 86802949

IUPACN-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ccncc2Cl)C1
InChIInChI=1S/C11H16ClN3O2S/c1-18(16,17)14-9-3-2-6-15(8-9)11-4-5-13-7-10(11)12/h4-5,7,9,14H,2-3,6,8H2,1H3
InChIKeyLKLNOBZMUZTOCD-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.25
Rot. Bonds3

About N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide

N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide (PubChem CID 86802949) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide
PubChem CID86802949
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC NameN-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ccncc2Cl)C1
InChIInChI=1S/C11H16ClN3O2S/c1-18(16,17)14-9-3-2-6-15(8-9)11-4-5-13-7-10(11)12/h4-5,7,9,14H,2-3,6,8H2,1H3
InChIKeyLKLNOBZMUZTOCD-UHFFFAOYSA-N
XLogP1.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide (CID 86802949) is N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2ccncc2Cl)C1.
What is the InChIKey of N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is LKLNOBZMUZTOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-18(16,17)14-9-3-2-6-15(8-9)11-4-5-13-7-10(11)12/h4-5,7,9,14H,2-3,6,8H2,1H3.
What are the key properties of N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide?
N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 289.79 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 86802949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).