1-imino-1-oxothiolan-3-amine

C4H10N2OS — CID 153214758

IUPAC1-imino-1-oxothiolan-3-amine
SMILES[H]N=S1(=O)CCC(N)C1
InChIInChI=1S/C4H10N2OS/c5-4-1-2-8(6,7)3-4/h4,6H,1-3,5H2
InChIKeyWMMKWEORTZMIQD-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.24
Rot. Bonds

About 1-imino-1-oxothiolan-3-amine

1-imino-1-oxothiolan-3-amine (PubChem CID 153214758) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-imino-1-oxothiolan-3-amine.

Molecular Properties

Compound Name1-imino-1-oxothiolan-3-amine
PubChem CID153214758
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name1-imino-1-oxothiolan-3-amine
SMILES[H]N=S1(=O)CCC(N)C1
InChIInChI=1S/C4H10N2OS/c5-4-1-2-8(6,7)3-4/h4,6H,1-3,5H2
InChIKeyWMMKWEORTZMIQD-UHFFFAOYSA-N
XLogP-0.24
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-imino-1-oxothiolan-3-amine?
The IUPAC name of 1-imino-1-oxothiolan-3-amine (CID 153214758) is 1-imino-1-oxothiolan-3-amine.
What is the SMILES notation for 1-imino-1-oxothiolan-3-amine?
The canonical SMILES for 1-imino-1-oxothiolan-3-amine is [H]N=S1(=O)CCC(N)C1.
What is the InChIKey of 1-imino-1-oxothiolan-3-amine?
The InChIKey is WMMKWEORTZMIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c5-4-1-2-8(6,7)3-4/h4,6H,1-3,5H2.
What are the key properties of 1-imino-1-oxothiolan-3-amine?
1-imino-1-oxothiolan-3-amine has a molecular weight of 134.20 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-1-oxothiolan-3-amine is sourced from PubChem (CID 153214758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).