2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol

C9H17NO3S — CID 130979047

IUPAC2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol
SMILESC=CCS(=O)(=O)N1CCCC(O)C1C
InChIInChI=1S/C9H17NO3S/c1-3-7-14(12,13)10-6-4-5-9(11)8(10)2/h3,8-9,11H,1,4-7H2,2H3
InChIKeyAWVCHCRSKLVYTQ-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.35
Rot. Bonds3

About 2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol

2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol (PubChem CID 130979047) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol
PubChem CID130979047
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol
SMILESC=CCS(=O)(=O)N1CCCC(O)C1C
InChIInChI=1S/C9H17NO3S/c1-3-7-14(12,13)10-6-4-5-9(11)8(10)2/h3,8-9,11H,1,4-7H2,2H3
InChIKeyAWVCHCRSKLVYTQ-UHFFFAOYSA-N
XLogP0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol 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-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol
CID 131137856
(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
CID 79673182
(2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol
CID 130610281
2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
CID 79549347
(2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol
CID 130654150
1-(bromomethylsulfonyl)-2,3-dimethylpiperidine
CID 83085659
2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543937
(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine
CID 82755088
1-(chloromethylsulfonyl)-2,3-dimethylpiperidine
CID 63666234
2-methyl-2-(1-prop-2-enylsulfonylpiperidin-3-yl)propanoic acid
CID 83197883
(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
CID 67727161
2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol
CID 79545152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol?
The IUPAC name of 2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol (CID 130979047) is 2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol.
What is the SMILES notation for 2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol?
The canonical SMILES for 2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol is C=CCS(=O)(=O)N1CCCC(O)C1C.
What is the InChIKey of 2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol?
The InChIKey is AWVCHCRSKLVYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-3-7-14(12,13)10-6-4-5-9(11)8(10)2/h3,8-9,11H,1,4-7H2,2H3.
What are the key properties of 2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol?
2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol has a molecular weight of 219.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol is sourced from PubChem (CID 130979047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).