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

C12H18ClN3O2S — CID 71906954

IUPAC[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(Cc2ccncc2Cl)CC1
InChIInChI=1S/C12H18ClN3O2S/c13-12-7-15-4-1-11(12)8-16-5-2-10(3-6-16)9-19(14,17)18/h1,4,7,10H,2-3,5-6,8-9H2,(H2,14,17,18)
InChIKeyYAEVHFRBFPWFET-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.24
Rot. Bonds4

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

[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 71906954) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is [1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
PubChem CID71906954
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(Cc2ccncc2Cl)CC1
InChIInChI=1S/C12H18ClN3O2S/c13-12-7-15-4-1-11(12)8-16-5-2-10(3-6-16)9-19(14,17)18/h1,4,7,10H,2-3,5-6,8-9H2,(H2,14,17,18)
InChIKeyYAEVHFRBFPWFET-UHFFFAOYSA-N
XLogP1.24
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of [1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide (CID 71906954) is [1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for [1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for [1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide is NS(=O)(=O)CC1CCN(Cc2ccncc2Cl)CC1.
What is the InChIKey of [1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is YAEVHFRBFPWFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c13-12-7-15-4-1-11(12)8-16-5-2-10(3-6-16)9-19(14,17)18/h1,4,7,10H,2-3,5-6,8-9H2,(H2,14,17,18).
What are the key properties of [1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide?
[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 71906954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).