3-cyclohexylthian-4-amine

C11H21NS — CID 82397575

IUPAC3-cyclohexylthian-4-amine
SMILESNC1CCSCC1C1CCCCC1
InChIInChI=1S/C11H21NS/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h9-11H,1-8,12H2
InChIKeyHBJYSUOGKDRRQM-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.65
Rot. Bonds1

About 3-cyclohexylthian-4-amine

3-cyclohexylthian-4-amine (PubChem CID 82397575) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-cyclohexylthian-4-amine.

Molecular Properties

Compound Name3-cyclohexylthian-4-amine
PubChem CID82397575
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-cyclohexylthian-4-amine
SMILESNC1CCSCC1C1CCCCC1
InChIInChI=1S/C11H21NS/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h9-11H,1-8,12H2
InChIKeyHBJYSUOGKDRRQM-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylthian-4-amine?
The IUPAC name of 3-cyclohexylthian-4-amine (CID 82397575) is 3-cyclohexylthian-4-amine.
What is the SMILES notation for 3-cyclohexylthian-4-amine?
The canonical SMILES for 3-cyclohexylthian-4-amine is NC1CCSCC1C1CCCCC1.
What is the InChIKey of 3-cyclohexylthian-4-amine?
The InChIKey is HBJYSUOGKDRRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h9-11H,1-8,12H2.
What are the key properties of 3-cyclohexylthian-4-amine?
3-cyclohexylthian-4-amine has a molecular weight of 199.36 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylthian-4-amine is sourced from PubChem (CID 82397575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).