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

C15H24N2O2S — CID 62721366

IUPAC5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one
SMILESCC1CCCC(S(=O)CCCn2cc(N)ccc2=O)C1
InChIInChI=1S/C15H24N2O2S/c1-12-4-2-5-14(10-12)20(19)9-3-8-17-11-13(16)6-7-15(17)18/h6-7,11-12,14H,2-5,8-10,16H2,1H3
InChIKeyJWRRCEHVVZKXDH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.15
Rot. Bonds5

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

5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one (PubChem CID 62721366) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one
PubChem CID62721366
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one
SMILESCC1CCCC(S(=O)CCCn2cc(N)ccc2=O)C1
InChIInChI=1S/C15H24N2O2S/c1-12-4-2-5-14(10-12)20(19)9-3-8-17-11-13(16)6-7-15(17)18/h6-7,11-12,14H,2-5,8-10,16H2,1H3
InChIKeyJWRRCEHVVZKXDH-UHFFFAOYSA-N
XLogP2.15
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one (CID 62721366) is 5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one is CC1CCCC(S(=O)CCCn2cc(N)ccc2=O)C1.
What is the InChIKey of 5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one?
The InChIKey is JWRRCEHVVZKXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-4-2-5-14(10-12)20(19)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)sulfinylpropyl]pyridin-2-one?
5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one has a molecular weight of 296.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one is sourced from PubChem (CID 62721366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).