1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one

C15H21NO2S — CID 107036046

IUPAC1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
SMILESCC1(O)CCCN(C(=O)C(S)Cc2ccccc2)C1
InChIInChI=1S/C15H21NO2S/c1-15(18)8-5-9-16(11-15)14(17)13(19)10-12-6-3-2-4-7-12/h2-4,6-7,13,18-19H,5,8-11H2,1H3
InChIKeyRPJSNSFNTPEIOT-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.90
Rot. Bonds3

About 1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one

1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one (PubChem CID 107036046) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
PubChem CID107036046
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
SMILESCC1(O)CCCN(C(=O)C(S)Cc2ccccc2)C1
InChIInChI=1S/C15H21NO2S/c1-15(18)8-5-9-16(11-15)14(17)13(19)10-12-6-3-2-4-7-12/h2-4,6-7,13,18-19H,5,8-11H2,1H3
InChIKeyRPJSNSFNTPEIOT-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107019625
1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107029334
2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295543
1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid
CID 63134188
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107023213
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107029275
3-phenyl-1-piperazin-1-yl-2-sulfanylpropan-1-one
CID 82511771
4-(3-phenyl-2-sulfanylpropanoyl)-1,4-diazepan-2-one
CID 107031205
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 104876695
1-(1-oxo-1,4-thiazinan-4-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107025926
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
2-benzyl-3-(3-methoxy-3-methylpiperidin-1-yl)-3-oxopropanenitrile
CID 107392547

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one (CID 107036046) is 1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one is CC1(O)CCCN(C(=O)C(S)Cc2ccccc2)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one?
The InChIKey is RPJSNSFNTPEIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-15(18)8-5-9-16(11-15)14(17)13(19)10-12-6-3-2-4-7-12/h2-4,6-7,13,18-19H,5,8-11H2,1H3.
What are the key properties of 1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one?
1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one has a molecular weight of 279.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one is sourced from PubChem (CID 107036046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).