N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride

C12H20ClN3O2S — CID 120720360

IUPACN-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2cccnc2)CCNCC1.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-12(4-7-13-8-5-12)10-15-18(16,17)11-3-2-6-14-9-11;/h2-3,6,9,13,15H,4-5,7-8,10H2,1H3;1H
InChIKeyDCNYZIYQNBIKHG-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.17
Rot. Bonds4

About N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride

N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride (PubChem CID 120720360) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
PubChem CID120720360
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC NameN-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2cccnc2)CCNCC1.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-12(4-7-13-8-5-12)10-15-18(16,17)11-3-2-6-14-9-11;/h2-3,6,9,13,15H,4-5,7-8,10H2,1H3;1H
InChIKeyDCNYZIYQNBIKHG-UHFFFAOYSA-N
XLogP1.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 120891925
4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720559
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227
N-[(4-methylpiperidin-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120720448
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720556
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
N-propylpyridine-3-sulfonamide
CID 43258995
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride (CID 120720360) is N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride is CC1(CNS(=O)(=O)c2cccnc2)CCNCC1.Cl.
What is the InChIKey of N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is DCNYZIYQNBIKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.ClH/c1-12(4-7-13-8-5-12)10-15-18(16,17)11-3-2-6-14-9-11;/h2-3,6,9,13,15H,4-5,7-8,10H2,1H3;1H.
What are the key properties of N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride?
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120720360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).