1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

C15H26N3O3S+ — CID 9193156

IUPAC1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCC[C@H]1CCCC[NH+]1Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C15H25N3O3S/c1-4-13-7-5-6-10-17(13)12-18-11-14(8-9-15(18)19)22(20,21)16(2)3/h8-9,11,13H,4-7,10,12H2,1-3H3/p+1/t13-/m0/s1
InChIKeyHMZWODFQTRJUOO-ZDUSSCGKSA-O
MW328.46 g/mol
LogP-0.10
Rot. Bonds5

About 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (PubChem CID 9193156) has the molecular formula C15H26N3O3S+ and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
PubChem CID9193156
Molecular FormulaC15H26N3O3S+
Molecular Weight328.46 g/mol
Exact Mass328.17
IUPAC Name1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCC[C@H]1CCCC[NH+]1Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C15H25N3O3S/c1-4-13-7-5-6-10-17(13)12-18-11-14(8-9-15(18)19)22(20,21)16(2)3/h8-9,11,13H,4-7,10,12H2,1-3H3/p+1/t13-/m0/s1
InChIKeyHMZWODFQTRJUOO-ZDUSSCGKSA-O
XLogP-0.10
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (CID 9193156) is 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is CC[C@H]1CCCC[NH+]1Cn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is HMZWODFQTRJUOO-ZDUSSCGKSA-O. The full InChI is InChI=1S/C15H25N3O3S/c1-4-13-7-5-6-10-17(13)12-18-11-14(8-9-15(18)19)22(20,21)16(2)3/h8-9,11,13H,4-7,10,12H2,1-3H3/p+1/t13-/m0/s1.
What are the key properties of 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 9193156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).