2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol

C10H20O3S2 — CID 115918914

IUPAC2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol
SMILESCC(CO)SC1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C10H20O3S2/c1-8(7-11)14-9-4-3-5-10(6-9)15(2,12)13/h8-11H,3-7H2,1-2H3
InChIKeyIXSPFDLBERHWNL-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.46
Rot. Bonds4

About 2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol

2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol (PubChem CID 115918914) has the molecular formula C10H20O3S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol
PubChem CID115918914
Molecular FormulaC10H20O3S2
Molecular Weight252.40 g/mol
Exact Mass252.09
IUPAC Name2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol
SMILESCC(CO)SC1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C10H20O3S2/c1-8(7-11)14-9-4-3-5-10(6-9)15(2,12)13/h8-11H,3-7H2,1-2H3
InChIKeyIXSPFDLBERHWNL-UHFFFAOYSA-N
XLogP1.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
3-cyclohexylsulfanylbutan-1-ol
CID 66139047
2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116551695
2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol
CID 115927687
cyclooctyl-(3-methylsulfonylcyclohexyl)methanol
CID 80604080
1-(3-methylsulfonylcyclohexyl)-3-(propan-2-ylamino)propan-1-one
CID 116556398
2-hydroxy-1-(3-methylsulfonylcyclohexyl)butan-1-one
CID 103452895
1-(3-methylsulfonylcyclohexyl)pentane-1,2-diol
CID 103455003
2-amino-1-(3-methylsulfonylcyclohexyl)ethanone
CID 116548386
3-[3-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66137117
2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 115822140
2-amino-1-(3-methylsulfonylcyclohexyl)butan-1-one
CID 116583967

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol?
The IUPAC name of 2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol (CID 115918914) is 2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol is CC(CO)SC1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol?
The InChIKey is IXSPFDLBERHWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S2/c1-8(7-11)14-9-4-3-5-10(6-9)15(2,12)13/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol?
2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylcyclohexyl)sulfanylpropan-1-ol is sourced from PubChem (CID 115918914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).