N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide

C12H19N3O2S — CID 47140421

IUPACN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H19N3O2S/c1-18(16,17)14-11-5-8-15(9-6-11)10-12-4-2-3-7-13-12/h2-4,7,11,14H,5-6,8-10H2,1H3
InChIKeyNEUDZBGSAOGSLR-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.60
Rot. Bonds4

About N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide (PubChem CID 47140421) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
PubChem CID47140421
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H19N3O2S/c1-18(16,17)14-11-5-8-15(9-6-11)10-12-4-2-3-7-13-12/h2-4,7,11,14H,5-6,8-10H2,1H3
InChIKeyNEUDZBGSAOGSLR-UHFFFAOYSA-N
XLogP0.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
CID 70787701
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide
CID 138047369
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 91836825
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide
CID 63631308

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide (CID 47140421) is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is NEUDZBGSAOGSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-18(16,17)14-11-5-8-15(9-6-11)10-12-4-2-3-7-13-12/h2-4,7,11,14H,5-6,8-10H2,1H3.
What are the key properties of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide?
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 47140421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).