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

C12H20ClN3O2S — CID 120720795

IUPACN-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2cccnc2)CCCNC1.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-12(5-3-7-14-9-12)10-15-18(16,17)11-4-2-6-13-8-11;/h2,4,6,8,14-15H,3,5,7,9-10H2,1H3;1H
InChIKeyUSWGTFBXPVBKNB-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.17
Rot. Bonds4

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

N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride (PubChem CID 120720795) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
PubChem CID120720795
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC NameN-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2cccnc2)CCCNC1.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-12(5-3-7-14-9-12)10-15-18(16,17)11-4-2-6-13-8-11;/h2,4,6,8,14-15H,3,5,7,9-10H2,1H3;1H
InChIKeyUSWGTFBXPVBKNB-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-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720704
4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720830
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride
CID 120876257
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide
CID 120876258
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 120720689
5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720844
3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720873
N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120720680

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride (CID 120720795) is N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride is CC1(CNS(=O)(=O)c2cccnc2)CCCNC1.Cl.
What is the InChIKey of N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is USWGTFBXPVBKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.ClH/c1-12(5-3-7-14-9-12)10-15-18(16,17)11-4-2-6-13-8-11;/h2,4,6,8,14-15H,3,5,7,9-10H2,1H3;1H.
What are the key properties of N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride?
N-[(3-methylpiperidin-3-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-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120720795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).