1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine

C12H19NS2 — CID 104755139

IUPAC1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine
SMILESNC(CSc1cccs1)C1CCCCC1
InChIInChI=1S/C12H19NS2/c13-11(10-5-2-1-3-6-10)9-15-12-7-4-8-14-12/h4,7-8,10-11H,1-3,5-6,9,13H2
InChIKeyGSYIHOJUSQKMRY-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds4

About 1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine

1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine (PubChem CID 104755139) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine
PubChem CID104755139
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC Name1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine
SMILESNC(CSc1cccs1)C1CCCCC1
InChIInChI=1S/C12H19NS2/c13-11(10-5-2-1-3-6-10)9-15-12-7-4-8-14-12/h4,7-8,10-11H,1-3,5-6,9,13H2
InChIKeyGSYIHOJUSQKMRY-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine?
The IUPAC name of 1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine (CID 104755139) is 1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine?
The canonical SMILES for 1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine is NC(CSc1cccs1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine?
The InChIKey is GSYIHOJUSQKMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c13-11(10-5-2-1-3-6-10)9-15-12-7-4-8-14-12/h4,7-8,10-11H,1-3,5-6,9,13H2.
What are the key properties of 1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine?
1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine is sourced from PubChem (CID 104755139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).