[2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine

C15H29NO2S — CID 81332933

IUPAC[2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(S(=O)C2CCOCC2)C1
InChIInChI=1S/C15H29NO2S/c1-2-3-12-4-5-13(11-16)15(10-12)19(17)14-6-8-18-9-7-14/h12-15H,2-11,16H2,1H3
InChIKeyNZBXTKYDIWSLNT-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.46
Rot. Bonds5

About [2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine

[2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine (PubChem CID 81332933) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is [2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine
PubChem CID81332933
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name[2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(S(=O)C2CCOCC2)C1
InChIInChI=1S/C15H29NO2S/c1-2-3-12-4-5-13(11-16)15(10-12)19(17)14-6-8-18-9-7-14/h12-15H,2-11,16H2,1H3
InChIKeyNZBXTKYDIWSLNT-UHFFFAOYSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-tert-butyl-2-(oxan-4-ylsulfinyl)cyclohexyl]methanamine
CID 81334474
N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine
CID 64655043
(2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine
CID 81329482
[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81328958
[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
CID 107767479
(4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine
CID 81328241
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine
CID 64656792
(3-propylcyclopentyl)methanamine
CID 83635339
2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine
CID 64655991
2-pentylsulfinyl-4-propylcyclohexan-1-amine
CID 107758994

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine (CID 81332933) is [2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(S(=O)C2CCOCC2)C1.
What is the InChIKey of [2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine?
The InChIKey is NZBXTKYDIWSLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-2-3-12-4-5-13(11-16)15(10-12)19(17)14-6-8-18-9-7-14/h12-15H,2-11,16H2,1H3.
What are the key properties of [2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine?
[2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine has a molecular weight of 287.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 81332933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).