1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol

C14H28O3S — CID 107449692

IUPAC1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCCS(=O)(=O)CCCC1(O)CCCC(C(C)C)C1
InChIInChI=1S/C14H28O3S/c1-4-18(16,17)10-6-9-14(15)8-5-7-13(11-14)12(2)3/h12-13,15H,4-11H2,1-3H3
InChIKeyRLEPPBCJGRNSPS-UHFFFAOYSA-N
MW276.44 g/mol
LogP2.78
Rot. Bonds6

About 1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol

1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449692) has the molecular formula C14H28O3S and a molecular weight of 276.44 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449692
Molecular FormulaC14H28O3S
Molecular Weight276.44 g/mol
Exact Mass276.18
IUPAC Name1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCCS(=O)(=O)CCCC1(O)CCCC(C(C)C)C1
InChIInChI=1S/C14H28O3S/c1-4-18(16,17)10-6-9-14(15)8-5-7-13(11-14)12(2)3/h12-13,15H,4-11H2,1-3H3
InChIKeyRLEPPBCJGRNSPS-UHFFFAOYSA-N
XLogP2.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol
CID 65151467
2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid
CID 83908321
1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449768
1-(methylaminomethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107450419
3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol
CID 107449756
1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol
CID 79949924
1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol
CID 65153721
1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 65421379
3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol
CID 65145628
1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol
CID 65147372
2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol
CID 65149543

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol (CID 107449692) is 1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol is CCS(=O)(=O)CCCC1(O)CCCC(C(C)C)C1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is RLEPPBCJGRNSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3S/c1-4-18(16,17)10-6-9-14(15)8-5-7-13(11-14)12(2)3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol?
1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 276.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).