1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one

C13H26N2O2S — CID 114152232

IUPAC1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
SMILESCSC(CO)C(C)N1CCCC(NC(C)C)C1=O
InChIInChI=1S/C13H26N2O2S/c1-9(2)14-11-6-5-7-15(13(11)17)10(3)12(8-16)18-4/h9-12,14,16H,5-8H2,1-4H3
InChIKeyALGAMPIWSKAIOL-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.09
Rot. Bonds6

About 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one

1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one (PubChem CID 114152232) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
PubChem CID114152232
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
SMILESCSC(CO)C(C)N1CCCC(NC(C)C)C1=O
InChIInChI=1S/C13H26N2O2S/c1-9(2)14-11-6-5-7-15(13(11)17)10(3)12(8-16)18-4/h9-12,14,16H,5-8H2,1-4H3
InChIKeyALGAMPIWSKAIOL-UHFFFAOYSA-N
XLogP1.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxy-4-methylpentan-3-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 114178303
1-but-3-yn-2-yl-3-(propan-2-ylamino)piperidin-2-one
CID 114420364
1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 65053200
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
CID 114171183
1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one
CID 113493057
1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one
CID 79267296
methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate
CID 106163733
3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 106160462
1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106021182
3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide
CID 114176608
1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one
CID 65118942
2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea
CID 83114839

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one (CID 114152232) is 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one is CSC(CO)C(C)N1CCCC(NC(C)C)C1=O.
What is the InChIKey of 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one?
The InChIKey is ALGAMPIWSKAIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-9(2)14-11-6-5-7-15(13(11)17)10(3)12(8-16)18-4/h9-12,14,16H,5-8H2,1-4H3.
What are the key properties of 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one?
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one has a molecular weight of 274.43 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 114152232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).