1-cyclohexyl-2-phenylsulfanylethanamine

C14H21NS — CID 22730721

IUPAC1-cyclohexyl-2-phenylsulfanylethanamine
SMILESNC(CSc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H21NS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11,15H2
InChIKeyOZBRCCVZZXKGBO-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.69
Rot. Bonds4

About 1-cyclohexyl-2-phenylsulfanylethanamine

1-cyclohexyl-2-phenylsulfanylethanamine (PubChem CID 22730721) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-phenylsulfanylethanamine
PubChem CID22730721
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-cyclohexyl-2-phenylsulfanylethanamine
SMILESNC(CSc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H21NS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11,15H2
InChIKeyOZBRCCVZZXKGBO-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-phenylsulfanylethanamine?
The IUPAC name of 1-cyclohexyl-2-phenylsulfanylethanamine (CID 22730721) is 1-cyclohexyl-2-phenylsulfanylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-phenylsulfanylethanamine?
The canonical SMILES for 1-cyclohexyl-2-phenylsulfanylethanamine is NC(CSc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-phenylsulfanylethanamine?
The InChIKey is OZBRCCVZZXKGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11,15H2.
What are the key properties of 1-cyclohexyl-2-phenylsulfanylethanamine?
1-cyclohexyl-2-phenylsulfanylethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-phenylsulfanylethanamine is sourced from PubChem (CID 22730721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).