[1-(2-ethylsulfonylethylamino)cyclohexyl]methanol

C11H23NO3S — CID 62520826

IUPAC[1-(2-ethylsulfonylethylamino)cyclohexyl]methanol
SMILESCCS(=O)(=O)CCNC1(CO)CCCCC1
InChIInChI=1S/C11H23NO3S/c1-2-16(14,15)9-8-12-11(10-13)6-4-3-5-7-11/h12-13H,2-10H2,1H3
InChIKeyYYPDYLXJYFSLLB-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.71
Rot. Bonds6

About [1-(2-ethylsulfonylethylamino)cyclohexyl]methanol

[1-(2-ethylsulfonylethylamino)cyclohexyl]methanol (PubChem CID 62520826) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is [1-(2-ethylsulfonylethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-ethylsulfonylethylamino)cyclohexyl]methanol
PubChem CID62520826
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name[1-(2-ethylsulfonylethylamino)cyclohexyl]methanol
SMILESCCS(=O)(=O)CCNC1(CO)CCCCC1
InChIInChI=1S/C11H23NO3S/c1-2-16(14,15)9-8-12-11(10-13)6-4-3-5-7-11/h12-13H,2-10H2,1H3
InChIKeyYYPDYLXJYFSLLB-UHFFFAOYSA-N
XLogP0.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylsulfonylethylamino)cyclohexyl]methanol?
The IUPAC name of [1-(2-ethylsulfonylethylamino)cyclohexyl]methanol (CID 62520826) is [1-(2-ethylsulfonylethylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(2-ethylsulfonylethylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(2-ethylsulfonylethylamino)cyclohexyl]methanol is CCS(=O)(=O)CCNC1(CO)CCCCC1.
What is the InChIKey of [1-(2-ethylsulfonylethylamino)cyclohexyl]methanol?
The InChIKey is YYPDYLXJYFSLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-16(14,15)9-8-12-11(10-13)6-4-3-5-7-11/h12-13H,2-10H2,1H3.
What are the key properties of [1-(2-ethylsulfonylethylamino)cyclohexyl]methanol?
[1-(2-ethylsulfonylethylamino)cyclohexyl]methanol has a molecular weight of 249.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylsulfonylethylamino)cyclohexyl]methanol is sourced from PubChem (CID 62520826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).