2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol

C12H23NO3S2 — CID 66375579

IUPAC2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
SMILESCCS(=O)(=O)C1CSCCN1C1CCCCC1O
InChIInChI=1S/C12H23NO3S2/c1-2-18(15,16)12-9-17-8-7-13(12)10-5-3-4-6-11(10)14/h10-12,14H,2-9H2,1H3
InChIKeyQZFZGXLXPSTZAW-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.10
Rot. Bonds3

About 2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol

2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol (PubChem CID 66375579) has the molecular formula C12H23NO3S2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
PubChem CID66375579
Molecular FormulaC12H23NO3S2
Molecular Weight293.45 g/mol
Exact Mass293.11
IUPAC Name2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
SMILESCCS(=O)(=O)C1CSCCN1C1CCCCC1O
InChIInChI=1S/C12H23NO3S2/c1-2-18(15,16)12-9-17-8-7-13(12)10-5-3-4-6-11(10)14/h10-12,14H,2-9H2,1H3
InChIKeyQZFZGXLXPSTZAW-UHFFFAOYSA-N
XLogP1.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol
CID 102734831
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81005411
2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile
CID 66381997
trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol
CID 122237299
trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol
CID 102734775
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine
CID 81005062
3-ethylsulfonyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine
CID 82760827
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol
CID 66376997
azepan-1-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 116656575
2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379
(2,6-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107689435

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol?
The IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol (CID 66375579) is 2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol is CCS(=O)(=O)C1CSCCN1C1CCCCC1O.
What is the InChIKey of 2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol?
The InChIKey is QZFZGXLXPSTZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S2/c1-2-18(15,16)12-9-17-8-7-13(12)10-5-3-4-6-11(10)14/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol?
2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 66375579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).