2-amino-2-cyclohexylsulfonylethanol

C8H17NO3S — CID 117037372

IUPAC2-amino-2-cyclohexylsulfonylethanol
SMILESNC(CO)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C8H17NO3S/c9-8(6-10)13(11,12)7-4-2-1-3-5-7/h7-8,10H,1-6,9H2
InChIKeyJTKFXMCFXREJBO-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.01
Rot. Bonds3

About 2-amino-2-cyclohexylsulfonylethanol

2-amino-2-cyclohexylsulfonylethanol (PubChem CID 117037372) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-amino-2-cyclohexylsulfonylethanol.

Molecular Properties

Compound Name2-amino-2-cyclohexylsulfonylethanol
PubChem CID117037372
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-amino-2-cyclohexylsulfonylethanol
SMILESNC(CO)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C8H17NO3S/c9-8(6-10)13(11,12)7-4-2-1-3-5-7/h7-8,10H,1-6,9H2
InChIKeyJTKFXMCFXREJBO-UHFFFAOYSA-N
XLogP0.01
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-cyclopentylsulfonylpropanoic acid
CID 117037444
3-cyclohexylsulfonylbutan-1-amine
CID 64698665
ethyl 3-cyclopentylsulfonylbutanoate
CID 63114568
ethyl 2-cyclohexylsulfonylbutanoate
CID 64660670
(1-cyclohexylsulfonylcyclopropyl)methanol
CID 117037467
2-cycloheptylsulfonylpropanoic acid
CID 82925993
5,5-dimethylhexan-2-ylsulfonylcyclohexane
CID 158552545
4-cyclohexylsulfonyl-N-methylpentan-2-amine
CID 64704594
(2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid
CID 51889995
(2S)-2-cyclohexylsulfonyl-3-methylbutanoic acid
CID 51889993
2-cyclopentylsulfonyl-N-methylpropan-1-amine
CID 106512846
2-cyclohexylsulfonyl-N-propylpropan-1-amine
CID 106512987

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexylsulfonylethanol?
The IUPAC name of 2-amino-2-cyclohexylsulfonylethanol (CID 117037372) is 2-amino-2-cyclohexylsulfonylethanol.
What is the SMILES notation for 2-amino-2-cyclohexylsulfonylethanol?
The canonical SMILES for 2-amino-2-cyclohexylsulfonylethanol is NC(CO)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-amino-2-cyclohexylsulfonylethanol?
The InChIKey is JTKFXMCFXREJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c9-8(6-10)13(11,12)7-4-2-1-3-5-7/h7-8,10H,1-6,9H2.
What are the key properties of 2-amino-2-cyclohexylsulfonylethanol?
2-amino-2-cyclohexylsulfonylethanol has a molecular weight of 207.29 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexylsulfonylethanol is sourced from PubChem (CID 117037372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).