1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C16H26N3O3S+ — CID 9193543

IUPAC1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESCC1CC[NH+](Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-14-6-10-17(11-7-14)13-18-12-15(4-5-16(18)20)23(21,22)19-8-2-3-9-19/h4-5,12,14H,2-3,6-11,13H2,1H3/p+1
InChIKeyLYFHHYLGPGMTFA-UHFFFAOYSA-O
MW340.47 g/mol
LogP-0.09
Rot. Bonds4

About 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 9193543) has the molecular formula C16H26N3O3S+ and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID9193543
Molecular FormulaC16H26N3O3S+
Molecular Weight340.47 g/mol
Exact Mass340.17
IUPAC Name1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESCC1CC[NH+](Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-14-6-10-17(11-7-14)13-18-12-15(4-5-16(18)20)23(21,22)19-8-2-3-9-19/h4-5,12,14H,2-3,6-11,13H2,1H3/p+1
InChIKeyLYFHHYLGPGMTFA-UHFFFAOYSA-O
XLogP-0.09
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one with MolForge

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Related Compounds

ethyl 1-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)methyl]piperidin-1-ium-4-carboxylate
CID 9281893
5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one
CID 9244806
1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 166239396
2-(4-methylpiperidin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7471841
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
N,N-diethyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170602
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746
1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 9285878
1-[2-(4-methylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 30343739
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 9193543) is 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is CC1CC[NH+](Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)CC1.
What is the InChIKey of 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is LYFHHYLGPGMTFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25N3O3S/c1-14-6-10-17(11-7-14)13-18-12-15(4-5-16(18)20)23(21,22)19-8-2-3-9-19/h4-5,12,14H,2-3,6-11,13H2,1H3/p+1.
What are the key properties of 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 340.47 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 9193543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).