1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol

C16H25NO3S — CID 62124171

IUPAC1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol
SMILESCCC(O)c1cccc(S(=O)(=O)N2CCCC(C)C2C)c1
InChIInChI=1S/C16H25NO3S/c1-4-16(18)14-8-5-9-15(11-14)21(19,20)17-10-6-7-12(2)13(17)3/h5,8-9,11-13,16,18H,4,6-7,10H2,1-3H3
InChIKeySKCVTXOLPXFQTF-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.94
Rot. Bonds4

About 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol

1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol (PubChem CID 62124171) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol.

Molecular Properties

Compound Name1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol
PubChem CID62124171
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol
SMILESCCC(O)c1cccc(S(=O)(=O)N2CCCC(C)C2C)c1
InChIInChI=1S/C16H25NO3S/c1-4-16(18)14-8-5-9-15(11-14)21(19,20)17-10-6-7-12(2)13(17)3/h5,8-9,11-13,16,18H,4,6-7,10H2,1-3H3
InChIKeySKCVTXOLPXFQTF-UHFFFAOYSA-N
XLogP2.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 62124169
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
CID 54882754
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 60873819
1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol
CID 60874201
1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol
CID 114799335
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873415
[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 55040179
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882423
[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 97325791
3-(2,3-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 127890904
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919345
3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60874374

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol?
The IUPAC name of 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol (CID 62124171) is 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol.
What is the SMILES notation for 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol?
The canonical SMILES for 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol is CCC(O)c1cccc(S(=O)(=O)N2CCCC(C)C2C)c1.
What is the InChIKey of 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol?
The InChIKey is SKCVTXOLPXFQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-4-16(18)14-8-5-9-15(11-14)21(19,20)17-10-6-7-12(2)13(17)3/h5,8-9,11-13,16,18H,4,6-7,10H2,1-3H3.
What are the key properties of 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol?
1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol has a molecular weight of 311.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol is sourced from PubChem (CID 62124171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).