N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide

C14H23N3O3S — CID 43629431

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CCN(CCCNS(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H23N3O3S/c1-12-5-9-17(10-6-12)8-2-7-16-21(19,20)13-3-4-14(18)15-11-13/h3-4,11-12,16H,2,5-10H2,1H3,(H,15,18)
InChIKeyDVVMADZCXHALEC-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.78
Rot. Bonds6

About N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629431) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629431
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CCN(CCCNS(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H23N3O3S/c1-12-5-9-17(10-6-12)8-2-7-16-21(19,20)13-3-4-14(18)15-11-13/h3-4,11-12,16H,2,5-10H2,1H3,(H,15,18)
InChIKeyDVVMADZCXHALEC-UHFFFAOYSA-N
XLogP0.78
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844122
3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 17461365
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8844139
6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide
CID 115521683
N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 60972507
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853225
4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 103697368
3-benzyl-N-[3-(4-methylpiperidin-1-yl)propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100741895
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629075
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 47034943

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 43629431) is N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide is CC1CCN(CCCNS(=O)(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is DVVMADZCXHALEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-12-5-9-17(10-6-12)8-2-7-16-21(19,20)13-3-4-14(18)15-11-13/h3-4,11-12,16H,2,5-10H2,1H3,(H,15,18).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).