1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

C16H29NO3S — CID 103277705

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCC1=CC(C)CC(C(O)CC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C16H29NO3S/c1-12-7-13(2)9-15(8-12)16(18)10-14-5-4-6-17(11-14)21(3,19)20/h7,12,14-16,18H,4-6,8-11H2,1-3H3
InChIKeyWMHJUUBCSKLDSJ-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.40
Rot. Bonds4

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (PubChem CID 103277705) has the molecular formula C16H29NO3S and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
PubChem CID103277705
Molecular FormulaC16H29NO3S
Molecular Weight315.48 g/mol
Exact Mass315.19
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCC1=CC(C)CC(C(O)CC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C16H29NO3S/c1-12-7-13(2)9-15(8-12)16(18)10-14-5-4-6-17(11-14)21(3,19)20/h7,12,14-16,18H,4-6,8-11H2,1-3H3
InChIKeyWMHJUUBCSKLDSJ-UHFFFAOYSA-N
XLogP2.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol 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

2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
CID 103277720
2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol
CID 79612405
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
CID 79610988
2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol
CID 115820304
1-(4-fluoro-2-methylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609526
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
CID 79622724
N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622029
ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79611825
1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609528
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79610493

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (CID 103277705) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is CC1=CC(C)CC(C(O)CC2CCCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The InChIKey is WMHJUUBCSKLDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3S/c1-12-7-13(2)9-15(8-12)16(18)10-14-5-4-6-17(11-14)21(3,19)20/h7,12,14-16,18H,4-6,8-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol has a molecular weight of 315.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is sourced from PubChem (CID 103277705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).