thian-3-amine

C5H11NS — CID 14024567

IUPACthian-3-amine
SMILESNC1CCCSC1
InChIInChI=1S/C5H11NS/c6-5-2-1-3-7-4-5/h5H,1-4,6H2
InChIKeyRRYVQPYROGYYSM-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.84
Rot. Bonds

About thian-3-amine

thian-3-amine (PubChem CID 14024567) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is thian-3-amine.

Molecular Properties

Compound Namethian-3-amine
PubChem CID14024567
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Namethian-3-amine
SMILESNC1CCCSC1
InChIInChI=1S/C5H11NS/c6-5-2-1-3-7-4-5/h5H,1-4,6H2
InChIKeyRRYVQPYROGYYSM-UHFFFAOYSA-N
XLogP0.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thian-3-amine?
The IUPAC name of thian-3-amine (CID 14024567) is thian-3-amine.
What is the SMILES notation for thian-3-amine?
The canonical SMILES for thian-3-amine is NC1CCCSC1.
What is the InChIKey of thian-3-amine?
The InChIKey is RRYVQPYROGYYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c6-5-2-1-3-7-4-5/h5H,1-4,6H2.
What are the key properties of thian-3-amine?
thian-3-amine has a molecular weight of 117.22 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thian-3-amine is sourced from PubChem (CID 14024567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).