(2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine

C15H29NOS — CID 81329482

IUPAC(2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CN)C(S(=O)C2CCCCC2)C1
InChIInChI=1S/C15H29NOS/c1-2-12-8-9-13(11-16)15(10-12)18(17)14-6-4-3-5-7-14/h12-15H,2-11,16H2,1H3
InChIKeyZNCFDRXMMQERGV-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.22
Rot. Bonds4

About (2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine

(2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine (PubChem CID 81329482) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is (2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine
PubChem CID81329482
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name(2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CN)C(S(=O)C2CCCCC2)C1
InChIInChI=1S/C15H29NOS/c1-2-12-8-9-13(11-16)15(10-12)18(17)14-6-4-3-5-7-14/h12-15H,2-11,16H2,1H3
InChIKeyZNCFDRXMMQERGV-UHFFFAOYSA-N
XLogP3.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine?
The IUPAC name of (2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine (CID 81329482) is (2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine.
What is the SMILES notation for (2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine?
The canonical SMILES for (2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine is CCC1CCC(CN)C(S(=O)C2CCCCC2)C1.
What is the InChIKey of (2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine?
The InChIKey is ZNCFDRXMMQERGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-2-12-8-9-13(11-16)15(10-12)18(17)14-6-4-3-5-7-14/h12-15H,2-11,16H2,1H3.
What are the key properties of (2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine?
(2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine has a molecular weight of 271.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 81329482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).