5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one

C15H24N2O3S — CID 62720640

IUPAC5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one
SMILESCC1CCCC(S(=O)(=O)CCCn2cc(N)ccc2=O)C1
InChIInChI=1S/C15H24N2O3S/c1-12-4-2-5-14(10-12)21(19,20)9-3-8-17-11-13(16)6-7-15(17)18/h6-7,11-12,14H,2-5,8-10,16H2,1H3
InChIKeyGWHKTRMTNJTVLG-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.81
Rot. Bonds5

About 5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one

5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one (PubChem CID 62720640) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one
PubChem CID62720640
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one
SMILESCC1CCCC(S(=O)(=O)CCCn2cc(N)ccc2=O)C1
InChIInChI=1S/C15H24N2O3S/c1-12-4-2-5-14(10-12)21(19,20)9-3-8-17-11-13(16)6-7-15(17)18/h6-7,11-12,14H,2-5,8-10,16H2,1H3
InChIKeyGWHKTRMTNJTVLG-UHFFFAOYSA-N
XLogP1.81
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one (CID 62720640) is 5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one is CC1CCCC(S(=O)(=O)CCCn2cc(N)ccc2=O)C1.
What is the InChIKey of 5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one?
The InChIKey is GWHKTRMTNJTVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-4-2-5-14(10-12)21(19,20)9-3-8-17-11-13(16)6-7-15(17)18/h6-7,11-12,14H,2-5,8-10,16H2,1H3.
What are the key properties of 5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one?
5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one has a molecular weight of 312.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one is sourced from PubChem (CID 62720640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).