1-oxothian-3-amine

C5H11NOS — CID 14024574

IUPAC1-oxothian-3-amine
SMILESNC1CCCS(=O)C1
InChIInChI=1S/C5H11NOS/c6-5-2-1-3-8(7)4-5/h5H,1-4,6H2
InChIKeyDCEXBHHMCWGDTA-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.14
Rot. Bonds

About 1-oxothian-3-amine

1-oxothian-3-amine (PubChem CID 14024574) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 1-oxothian-3-amine.

Molecular Properties

Compound Name1-oxothian-3-amine
PubChem CID14024574
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name1-oxothian-3-amine
SMILESNC1CCCS(=O)C1
InChIInChI=1S/C5H11NOS/c6-5-2-1-3-8(7)4-5/h5H,1-4,6H2
InChIKeyDCEXBHHMCWGDTA-UHFFFAOYSA-N
XLogP-0.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxothian-3-amine?
The IUPAC name of 1-oxothian-3-amine (CID 14024574) is 1-oxothian-3-amine.
What is the SMILES notation for 1-oxothian-3-amine?
The canonical SMILES for 1-oxothian-3-amine is NC1CCCS(=O)C1.
What is the InChIKey of 1-oxothian-3-amine?
The InChIKey is DCEXBHHMCWGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c6-5-2-1-3-8(7)4-5/h5H,1-4,6H2.
What are the key properties of 1-oxothian-3-amine?
1-oxothian-3-amine has a molecular weight of 133.22 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxothian-3-amine is sourced from PubChem (CID 14024574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).