[1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol

C12H25NO3S — CID 55087031

IUPAC[1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol
SMILESCCS(=O)(=O)CCNC1(CO)CCCC(C)C1
InChIInChI=1S/C12H25NO3S/c1-3-17(15,16)8-7-13-12(10-14)6-4-5-11(2)9-12/h11,13-14H,3-10H2,1-2H3
InChIKeyHTSQSCUMTXURSQ-UHFFFAOYSA-N
MW263.40 g/mol
LogP0.95
Rot. Bonds6

About [1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol

[1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol (PubChem CID 55087031) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is [1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol
PubChem CID55087031
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name[1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol
SMILESCCS(=O)(=O)CCNC1(CO)CCCC(C)C1
InChIInChI=1S/C12H25NO3S/c1-3-17(15,16)8-7-13-12(10-14)6-4-5-11(2)9-12/h11,13-14H,3-10H2,1-2H3
InChIKeyHTSQSCUMTXURSQ-UHFFFAOYSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol?
The IUPAC name of [1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol (CID 55087031) is [1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol is CCS(=O)(=O)CCNC1(CO)CCCC(C)C1.
What is the InChIKey of [1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol?
The InChIKey is HTSQSCUMTXURSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-17(15,16)8-7-13-12(10-14)6-4-5-11(2)9-12/h11,13-14H,3-10H2,1-2H3.
What are the key properties of [1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol?
[1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol has a molecular weight of 263.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylsulfonylethylamino)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 55087031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).