4-cyclopentylthian-4-amine

C10H19NS — CID 83684340

IUPAC4-cyclopentylthian-4-amine
SMILESNC1(C2CCCC2)CCSCC1
InChIInChI=1S/C10H19NS/c11-10(5-7-12-8-6-10)9-3-1-2-4-9/h9H,1-8,11H2
InChIKeyGFLGARGAWMETIC-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.40
Rot. Bonds1

About 4-cyclopentylthian-4-amine

4-cyclopentylthian-4-amine (PubChem CID 83684340) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 4-cyclopentylthian-4-amine.

Molecular Properties

Compound Name4-cyclopentylthian-4-amine
PubChem CID83684340
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name4-cyclopentylthian-4-amine
SMILESNC1(C2CCCC2)CCSCC1
InChIInChI=1S/C10H19NS/c11-10(5-7-12-8-6-10)9-3-1-2-4-9/h9H,1-8,11H2
InChIKeyGFLGARGAWMETIC-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylthian-4-amine?
The IUPAC name of 4-cyclopentylthian-4-amine (CID 83684340) is 4-cyclopentylthian-4-amine.
What is the SMILES notation for 4-cyclopentylthian-4-amine?
The canonical SMILES for 4-cyclopentylthian-4-amine is NC1(C2CCCC2)CCSCC1.
What is the InChIKey of 4-cyclopentylthian-4-amine?
The InChIKey is GFLGARGAWMETIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c11-10(5-7-12-8-6-10)9-3-1-2-4-9/h9H,1-8,11H2.
What are the key properties of 4-cyclopentylthian-4-amine?
4-cyclopentylthian-4-amine has a molecular weight of 185.34 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylthian-4-amine is sourced from PubChem (CID 83684340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).