N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride

C12H20ClN3O2S — CID 71645651

IUPACN-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccncc1)NCC1CCCCN1
InChIInChI=1S/C12H19N3O2S.ClH/c16-18(17,10-11-4-7-13-8-5-11)15-9-12-3-1-2-6-14-12;/h4-5,7-8,12,14-15H,1-3,6,9-10H2;1H
InChIKeyHCWQGLMGRKXANO-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.06
Rot. Bonds5

About N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride

N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride (PubChem CID 71645651) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride
PubChem CID71645651
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC NameN-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccncc1)NCC1CCCCN1
InChIInChI=1S/C12H19N3O2S.ClH/c16-18(17,10-11-4-7-13-8-5-11)15-9-12-3-1-2-6-14-12;/h4-5,7-8,12,14-15H,1-3,6,9-10H2;1H
InChIKeyHCWQGLMGRKXANO-UHFFFAOYSA-N
XLogP1.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-piperidin-2-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165898
4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
CID 97165941
1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 97165900
1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974331
2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
CID 119974202
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide
CID 119974476
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanesulfonamide
CID 63245222
4-(piperidin-2-ylmethylsulfinylmethyl)pyridine
CID 71646100
4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide
CID 97166051

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride?
The IUPAC name of N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride (CID 71645651) is N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride is Cl.O=S(=O)(Cc1ccncc1)NCC1CCCCN1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride?
The InChIKey is HCWQGLMGRKXANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.ClH/c16-18(17,10-11-4-7-13-8-5-11)15-9-12-3-1-2-6-14-12;/h4-5,7-8,12,14-15H,1-3,6,9-10H2;1H.
What are the key properties of N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride?
N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 71645651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).