(2S)-2-cyclohexyl-2-ethylsulfonylethanamine

C10H21NO2S — CID 99991186

IUPAC(2S)-2-cyclohexyl-2-ethylsulfonylethanamine
SMILESCCS(=O)(=O)[C@H](CN)C1CCCCC1
InChIInChI=1S/C10H21NO2S/c1-2-14(12,13)10(8-11)9-6-4-3-5-7-9/h9-10H,2-8,11H2,1H3/t10-/m1/s1
InChIKeyJYLRGQBIFGYQLB-SNVBAGLBSA-N
MW219.35 g/mol
LogP1.33
Rot. Bonds4

About (2S)-2-cyclohexyl-2-ethylsulfonylethanamine

(2S)-2-cyclohexyl-2-ethylsulfonylethanamine (PubChem CID 99991186) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-ethylsulfonylethanamine.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-ethylsulfonylethanamine
PubChem CID99991186
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(2S)-2-cyclohexyl-2-ethylsulfonylethanamine
SMILESCCS(=O)(=O)[C@H](CN)C1CCCCC1
InChIInChI=1S/C10H21NO2S/c1-2-14(12,13)10(8-11)9-6-4-3-5-7-9/h9-10H,2-8,11H2,1H3/t10-/m1/s1
InChIKeyJYLRGQBIFGYQLB-SNVBAGLBSA-N
XLogP1.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclohexyl-2-ethylsulfonylethanol
CID 99991170
cyclohexyl(ethylsulfonyl)methanamine
CID 54085731
1-cyclopentylbutane-1-sulfonamide
CID 165443509
ethyl (2R)-2-cyclohexyl-2-ethylsulfonylacetate
CID 99991155
N-(2-amino-1-cyclohexylethyl)propane-1-sulfonamide
CID 61124953
1-cyclobutylpropane-1-sulfonamide
CID 130655197
N-(2-amino-1-cyclohexylethyl)methanesulfonamide
CID 61122382
N-(2-amino-1-cyclopentylethyl)ethanesulfonamide
CID 106737875
(2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde
CID 99989872
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
2-cyclohexylpropan-1-amine;hydrochloride
CID 24837056
[2-amino-1-(dipropylsulfamoylamino)ethyl]cyclohexane
CID 115309320

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-ethylsulfonylethanamine?
The IUPAC name of (2S)-2-cyclohexyl-2-ethylsulfonylethanamine (CID 99991186) is (2S)-2-cyclohexyl-2-ethylsulfonylethanamine.
What is the SMILES notation for (2S)-2-cyclohexyl-2-ethylsulfonylethanamine?
The canonical SMILES for (2S)-2-cyclohexyl-2-ethylsulfonylethanamine is CCS(=O)(=O)[C@H](CN)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-ethylsulfonylethanamine?
The InChIKey is JYLRGQBIFGYQLB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-14(12,13)10(8-11)9-6-4-3-5-7-9/h9-10H,2-8,11H2,1H3/t10-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-ethylsulfonylethanamine?
(2S)-2-cyclohexyl-2-ethylsulfonylethanamine has a molecular weight of 219.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-ethylsulfonylethanamine is sourced from PubChem (CID 99991186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).