5-methyl-1-oxothiolan-3-amine

C5H11NOS — CID 59657944

IUPAC5-methyl-1-oxothiolan-3-amine
SMILESCC1CC(N)CS1=O
InChIInChI=1S/C5H11NOS/c1-4-2-5(6)3-8(4)7/h4-5H,2-3,6H2,1H3
InChIKeyOZVFNVNWWJBPBG-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.15
Rot. Bonds

About 5-methyl-1-oxothiolan-3-amine

5-methyl-1-oxothiolan-3-amine (PubChem CID 59657944) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 5-methyl-1-oxothiolan-3-amine.

Molecular Properties

Compound Name5-methyl-1-oxothiolan-3-amine
PubChem CID59657944
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name5-methyl-1-oxothiolan-3-amine
SMILESCC1CC(N)CS1=O
InChIInChI=1S/C5H11NOS/c1-4-2-5(6)3-8(4)7/h4-5H,2-3,6H2,1H3
InChIKeyOZVFNVNWWJBPBG-UHFFFAOYSA-N
XLogP-0.15
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 ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-oxothiolan-3-amine?
The IUPAC name of 5-methyl-1-oxothiolan-3-amine (CID 59657944) is 5-methyl-1-oxothiolan-3-amine.
What is the SMILES notation for 5-methyl-1-oxothiolan-3-amine?
The canonical SMILES for 5-methyl-1-oxothiolan-3-amine is CC1CC(N)CS1=O.
What is the InChIKey of 5-methyl-1-oxothiolan-3-amine?
The InChIKey is OZVFNVNWWJBPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-4-2-5(6)3-8(4)7/h4-5H,2-3,6H2,1H3.
What are the key properties of 5-methyl-1-oxothiolan-3-amine?
5-methyl-1-oxothiolan-3-amine has a molecular weight of 133.22 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-oxothiolan-3-amine is sourced from PubChem (CID 59657944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).