1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine

C11H23NO2S2 — CID 104754976

IUPAC1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
SMILESCS(=O)(=O)CCSCC(N)C1CCCCC1
InChIInChI=1S/C11H23NO2S2/c1-16(13,14)8-7-15-9-11(12)10-5-3-2-4-6-10/h10-11H,2-9,12H2,1H3
InChIKeyUVXDIYWTSGRGRQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.67
Rot. Bonds6

About 1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine

1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine (PubChem CID 104754976) has the molecular formula C11H23NO2S2 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
PubChem CID104754976
Molecular FormulaC11H23NO2S2
Molecular Weight265.44 g/mol
Exact Mass265.12
IUPAC Name1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
SMILESCS(=O)(=O)CCSCC(N)C1CCCCC1
InChIInChI=1S/C11H23NO2S2/c1-16(13,14)8-7-15-9-11(12)10-5-3-2-4-6-10/h10-11H,2-9,12H2,1H3
InChIKeyUVXDIYWTSGRGRQ-UHFFFAOYSA-N
XLogP1.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-methyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
CID 104754975
1-cyclohexyl-2-propylsulfanylethanamine
CID 65128728
1-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine
CID 82931214
1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 104746719
1-cyclopentyl-2-methylsulfanylethanamine
CID 62691520
3,3-dimethyl-1-(2-methylsulfonylethylsulfanyl)butan-2-amine
CID 64610655
ethyl 2-(2-amino-2-cyclopentylethyl)sulfanylacetate
CID 104755112
1-cyclopropyl-5-methylsulfonylpentan-1-amine
CID 63355317
methyl 2-amino-3-(2-methylsulfonylethylsulfanyl)propanoate
CID 63659774
2-cyclopentyl-4-methylsulfonylbutan-1-amine
CID 112569568
2-amino-N-cyclooctyl-4-methylsulfonylbutanamide
CID 24708067
(1R)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81384341

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine?
The IUPAC name of 1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine (CID 104754976) is 1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine?
The canonical SMILES for 1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine is CS(=O)(=O)CCSCC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine?
The InChIKey is UVXDIYWTSGRGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S2/c1-16(13,14)8-7-15-9-11(12)10-5-3-2-4-6-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine?
1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine has a molecular weight of 265.44 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine is sourced from PubChem (CID 104754976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).