1-(thian-4-yl)ethanamine

C7H15NS — CID 82417750

IUPAC1-(thian-4-yl)ethanamine
SMILESCC(N)C1CCSCC1
InChIInChI=1S/C7H15NS/c1-6(8)7-2-4-9-5-3-7/h6-7H,2-5,8H2,1H3
InChIKeyCELSTQZMIXLOHS-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.48
Rot. Bonds1

About 1-(thian-4-yl)ethanamine

1-(thian-4-yl)ethanamine (PubChem CID 82417750) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-(thian-4-yl)ethanamine
PubChem CID82417750
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-(thian-4-yl)ethanamine
SMILESCC(N)C1CCSCC1
InChIInChI=1S/C7H15NS/c1-6(8)7-2-4-9-5-3-7/h6-7H,2-5,8H2,1H3
InChIKeyCELSTQZMIXLOHS-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thian-4-yl)ethanamine?
The IUPAC name of 1-(thian-4-yl)ethanamine (CID 82417750) is 1-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-(thian-4-yl)ethanamine?
The canonical SMILES for 1-(thian-4-yl)ethanamine is CC(N)C1CCSCC1.
What is the InChIKey of 1-(thian-4-yl)ethanamine?
The InChIKey is CELSTQZMIXLOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(8)7-2-4-9-5-3-7/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-(thian-4-yl)ethanamine?
1-(thian-4-yl)ethanamine has a molecular weight of 145.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-yl)ethanamine is sourced from PubChem (CID 82417750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).