(4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine

C14H23NOS2 — CID 81328241

IUPAC(4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine
SMILESCCCC1CCC(CN)C(S(=O)c2cccs2)C1
InChIInChI=1S/C14H23NOS2/c1-2-4-11-6-7-12(10-15)13(9-11)18(16)14-5-3-8-17-14/h3,5,8,11-13H,2,4,6-7,9-10,15H2,1H3
InChIKeyPCJRHCTYMZTRLS-UHFFFAOYSA-N
MW285.48 g/mol
LogP3.40
Rot. Bonds5

About (4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine

(4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine (PubChem CID 81328241) has the molecular formula C14H23NOS2 and a molecular weight of 285.48 g/mol. Its IUPAC name is (4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine
PubChem CID81328241
Molecular FormulaC14H23NOS2
Molecular Weight285.48 g/mol
Exact Mass285.12
IUPAC Name(4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine
SMILESCCCC1CCC(CN)C(S(=O)c2cccs2)C1
InChIInChI=1S/C14H23NOS2/c1-2-4-11-6-7-12(10-15)13(9-11)18(16)14-5-3-8-17-14/h3,5,8,11-13H,2,4,6-7,9-10,15H2,1H3
InChIKeyPCJRHCTYMZTRLS-UHFFFAOYSA-N
XLogP3.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine
CID 81328942
(2-thiophen-2-ylsulfinylcycloheptyl)methanamine
CID 81328024
[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81328958
[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
CID 107767479
[2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81332933
[4-ethyl-2-(3-methylphenyl)sulfinylcyclohexyl]methanamine
CID 81333024
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
(2-phenylsulfanyl-4-propylcyclohexyl)methanamine
CID 43530144
2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81025989
2-(3,4-dimethylphenyl)sulfinyl-4-propylcyclohexan-1-amine
CID 64659467
N-ethyl-2-thiophen-2-ylsulfinylcycloheptan-1-amine
CID 64651144
[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine
CID 81012117

Frequently Asked Questions

What is the IUPAC name of (4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine?
The IUPAC name of (4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine (CID 81328241) is (4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine.
What is the SMILES notation for (4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine?
The canonical SMILES for (4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine is CCCC1CCC(CN)C(S(=O)c2cccs2)C1.
What is the InChIKey of (4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine?
The InChIKey is PCJRHCTYMZTRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS2/c1-2-4-11-6-7-12(10-15)13(9-11)18(16)14-5-3-8-17-14/h3,5,8,11-13H,2,4,6-7,9-10,15H2,1H3.
What are the key properties of (4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine?
(4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine has a molecular weight of 285.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine is sourced from PubChem (CID 81328241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).