2-(4-cyclopropylthian-4-yl)ethanamine

C10H19NS — CID 83817513

IUPAC2-(4-cyclopropylthian-4-yl)ethanamine
SMILESNCCC1(C2CC2)CCSCC1
InChIInChI=1S/C10H19NS/c11-6-3-10(9-1-2-9)4-7-12-8-5-10/h9H,1-8,11H2
InChIKeyBWVKEUWULZHVTG-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.26
Rot. Bonds3

About 2-(4-cyclopropylthian-4-yl)ethanamine

2-(4-cyclopropylthian-4-yl)ethanamine (PubChem CID 83817513) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-(4-cyclopropylthian-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclopropylthian-4-yl)ethanamine
PubChem CID83817513
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-(4-cyclopropylthian-4-yl)ethanamine
SMILESNCCC1(C2CC2)CCSCC1
InChIInChI=1S/C10H19NS/c11-6-3-10(9-1-2-9)4-7-12-8-5-10/h9H,1-8,11H2
InChIKeyBWVKEUWULZHVTG-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylthian-4-yl)ethanamine?
The IUPAC name of 2-(4-cyclopropylthian-4-yl)ethanamine (CID 83817513) is 2-(4-cyclopropylthian-4-yl)ethanamine.
What is the SMILES notation for 2-(4-cyclopropylthian-4-yl)ethanamine?
The canonical SMILES for 2-(4-cyclopropylthian-4-yl)ethanamine is NCCC1(C2CC2)CCSCC1.
What is the InChIKey of 2-(4-cyclopropylthian-4-yl)ethanamine?
The InChIKey is BWVKEUWULZHVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c11-6-3-10(9-1-2-9)4-7-12-8-5-10/h9H,1-8,11H2.
What are the key properties of 2-(4-cyclopropylthian-4-yl)ethanamine?
2-(4-cyclopropylthian-4-yl)ethanamine has a molecular weight of 185.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylthian-4-yl)ethanamine is sourced from PubChem (CID 83817513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).