N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide

C14H24N3O3S+ — CID 9193537

IUPACN,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide
SMILESCC1CC[NH+](Cn2cc(S(=O)(=O)N(C)C)ccc2=O)CC1
InChIInChI=1S/C14H23N3O3S/c1-12-6-8-16(9-7-12)11-17-10-13(4-5-14(17)18)21(19,20)15(2)3/h4-5,10,12H,6-9,11H2,1-3H3/p+1
InChIKeyLTKLDRJDOWLLAB-UHFFFAOYSA-O
MW314.43 g/mol
LogP-0.63
Rot. Bonds4

About N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide

N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide (PubChem CID 9193537) has the molecular formula C14H24N3O3S+ and a molecular weight of 314.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide
PubChem CID9193537
Molecular FormulaC14H24N3O3S+
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide
SMILESCC1CC[NH+](Cn2cc(S(=O)(=O)N(C)C)ccc2=O)CC1
InChIInChI=1S/C14H23N3O3S/c1-12-6-8-16(9-7-12)11-17-10-13(4-5-14(17)18)21(19,20)15(2)3/h4-5,10,12H,6-9,11H2,1-3H3/p+1
InChIKeyLTKLDRJDOWLLAB-UHFFFAOYSA-O
XLogP-0.63
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide (CID 9193537) is N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide is CC1CC[NH+](Cn2cc(S(=O)(=O)N(C)C)ccc2=O)CC1.
What is the InChIKey of N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is LTKLDRJDOWLLAB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N3O3S/c1-12-6-8-16(9-7-12)11-17-10-13(4-5-14(17)18)21(19,20)15(2)3/h4-5,10,12H,6-9,11H2,1-3H3/p+1.
What are the key properties of N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide?
N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 314.43 g/mol, XLogP of -0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 9193537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).