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

C12H18ClN3O2S — CID 75376944

IUPACN-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2ccncc2Cl)C1
InChIInChI=1S/C12H18ClN3O2S/c1-19(17,18)15-7-10-3-2-6-16(9-10)12-4-5-14-8-11(12)13/h4-5,8,10,15H,2-3,6-7,9H2,1H3
InChIKeyLKZGAAQXICAUIN-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.50
Rot. Bonds4

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

N-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 75376944) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID75376944
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC NameN-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2ccncc2Cl)C1
InChIInChI=1S/C12H18ClN3O2S/c1-19(17,18)15-7-10-3-2-6-16(9-10)12-4-5-14-8-11(12)13/h4-5,8,10,15H,2-3,6-7,9H2,1H3
InChIKeyLKZGAAQXICAUIN-UHFFFAOYSA-N
XLogP1.50
TPSA62.30 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 ≤ 51.50
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]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide (CID 75376944) is N-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(c2ccncc2Cl)C1.
What is the InChIKey of N-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is LKZGAAQXICAUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-19(17,18)15-7-10-3-2-6-16(9-10)12-4-5-14-8-11(12)13/h4-5,8,10,15H,2-3,6-7,9H2,1H3.
What are the key properties of N-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 1.50, 4 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]methyl]methanesulfonamide is sourced from PubChem (CID 75376944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).