5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one

C12H18N2O4S — CID 107405922

IUPAC5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1(O)CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H18N2O4S/c1-12(16)5-2-7-14(8-6-12)19(17,18)10-3-4-11(15)13-9-10/h3-4,9,16H,2,5-8H2,1H3,(H,13,15)
InChIKeySJXIEBBOTSJMPA-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.30
Rot. Bonds2

About 5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one

5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 107405922) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID107405922
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1(O)CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H18N2O4S/c1-12(16)5-2-7-14(8-6-12)19(17,18)10-3-4-11(15)13-9-10/h3-4,9,16H,2,5-8H2,1H3,(H,13,15)
InChIKeySJXIEBBOTSJMPA-UHFFFAOYSA-N
XLogP0.30
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 55249612
5-(4-propylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64361002
5-(4-propan-2-ylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64361774
5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64363116
N-[(1-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 65108559
N-(2-ethyl-2-hydroxybutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 65109257
5-(4,4-dimethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 65281912
N-(2-hydroxy-2,4-dimethylpentyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66171675
5-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 81108752
N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 106293642
3-chloro-5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 107405925
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 114951121

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one (CID 107405922) is 5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one is CC1(O)CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is SJXIEBBOTSJMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-12(16)5-2-7-14(8-6-12)19(17,18)10-3-4-11(15)13-9-10/h3-4,9,16H,2,5-8H2,1H3,(H,13,15).
What are the key properties of 5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one?
5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 286.35 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 107405922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).