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

C14H23N3O3S — CID 9193538

IUPACN,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide
SMILESCC1CCN(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
InChIKeyLTKLDRJDOWLLAB-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.79
Rot. Bonds4

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

N,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide (PubChem CID 9193538) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide
PubChem CID9193538
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide
SMILESCC1CCN(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
InChIKeyLTKLDRJDOWLLAB-UHFFFAOYSA-N
XLogP0.79
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide (CID 9193538) is N,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide is CC1CCN(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)CC1.
What is the InChIKey of N,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is LTKLDRJDOWLLAB-UHFFFAOYSA-N. 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.
What are the key properties of N,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide?
N,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 9193538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).