N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride

C13H22ClN3O2S — CID 71637453

IUPACN-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride
SMILESCC(c1ccccn1)S(=O)(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-11(13-6-2-3-8-15-13)19(17,18)16-10-12-5-4-7-14-9-12;/h2-3,6,8,11-12,14,16H,4-5,7,9-10H2,1H3;1H
InChIKeyGMFFFNFHCMOFQW-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.48
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride

N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride (PubChem CID 71637453) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride
PubChem CID71637453
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC NameN-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride
SMILESCC(c1ccccn1)S(=O)(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-11(13-6-2-3-8-15-13)19(17,18)16-10-12-5-4-7-14-9-12;/h2-3,6,8,11-12,14,16H,4-5,7,9-10H2,1H3;1H
InChIKeyGMFFFNFHCMOFQW-UHFFFAOYSA-N
XLogP1.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide
CID 97162061
(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 97162039
N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide
CID 97166084
(1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide
CID 97162035
N-methyl-N-piperidin-3-yl-1-pyridin-2-ylethanesulfonamide
CID 71637418
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637625
1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
(1S)-N-methyl-1-pyridin-2-ylethanesulfonamide
CID 97167945
N-(piperidin-3-ylmethylsulfamoyl)propan-2-amine
CID 114807423
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride (CID 71637453) is N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride is CC(c1ccccn1)S(=O)(=O)NCC1CCCNC1.Cl.
What is the InChIKey of N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride?
The InChIKey is GMFFFNFHCMOFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.ClH/c1-11(13-6-2-3-8-15-13)19(17,18)16-10-12-5-4-7-14-9-12;/h2-3,6,8,11-12,14,16H,4-5,7,9-10H2,1H3;1H.
What are the key properties of N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride?
N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride is sourced from PubChem (CID 71637453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).