1-imino-N-methyl-1-oxothiolan-3-amine

C5H12N2OS — CID 131258374

IUPAC1-imino-N-methyl-1-oxothiolan-3-amine
SMILES[H]N=S1(=O)CCC(NC)C1
InChIInChI=1S/C5H12N2OS/c1-7-5-2-3-9(6,8)4-5/h5-7H,2-4H2,1H3
InChIKeyUEENHLAKPNXRPW-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.02
Rot. Bonds1

About 1-imino-N-methyl-1-oxothiolan-3-amine

1-imino-N-methyl-1-oxothiolan-3-amine (PubChem CID 131258374) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-imino-N-methyl-1-oxothiolan-3-amine.

Molecular Properties

Compound Name1-imino-N-methyl-1-oxothiolan-3-amine
PubChem CID131258374
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name1-imino-N-methyl-1-oxothiolan-3-amine
SMILES[H]N=S1(=O)CCC(NC)C1
InChIInChI=1S/C5H12N2OS/c1-7-5-2-3-9(6,8)4-5/h5-7H,2-4H2,1H3
InChIKeyUEENHLAKPNXRPW-UHFFFAOYSA-N
XLogP0.02
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-imino-N-methyl-1-oxothiolan-3-amine?
The IUPAC name of 1-imino-N-methyl-1-oxothiolan-3-amine (CID 131258374) is 1-imino-N-methyl-1-oxothiolan-3-amine.
What is the SMILES notation for 1-imino-N-methyl-1-oxothiolan-3-amine?
The canonical SMILES for 1-imino-N-methyl-1-oxothiolan-3-amine is [H]N=S1(=O)CCC(NC)C1.
What is the InChIKey of 1-imino-N-methyl-1-oxothiolan-3-amine?
The InChIKey is UEENHLAKPNXRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-7-5-2-3-9(6,8)4-5/h5-7H,2-4H2,1H3.
What are the key properties of 1-imino-N-methyl-1-oxothiolan-3-amine?
1-imino-N-methyl-1-oxothiolan-3-amine has a molecular weight of 148.23 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-N-methyl-1-oxothiolan-3-amine is sourced from PubChem (CID 131258374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).