4-methyl-1,1-dioxothiolan-3-amine

C5H11NO2S — CID 5223471

IUPAC4-methyl-1,1-dioxothiolan-3-amine
SMILESCC1CS(=O)(=O)CC1N
InChIInChI=1S/C5H11NO2S/c1-4-2-9(7,8)3-5(4)6/h4-5H,2-3,6H2,1H3
InChIKeyYYGNWYCWJLWHCR-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.62
Rot. Bonds

About 4-methyl-1,1-dioxothiolan-3-amine

4-methyl-1,1-dioxothiolan-3-amine (PubChem CID 5223471) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is 4-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name4-methyl-1,1-dioxothiolan-3-amine
PubChem CID5223471
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name4-methyl-1,1-dioxothiolan-3-amine
SMILESCC1CS(=O)(=O)CC1N
InChIInChI=1S/C5H11NO2S/c1-4-2-9(7,8)3-5(4)6/h4-5H,2-3,6H2,1H3
InChIKeyYYGNWYCWJLWHCR-UHFFFAOYSA-N
XLogP-0.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of 4-methyl-1,1-dioxothiolan-3-amine (CID 5223471) is 4-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 4-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for 4-methyl-1,1-dioxothiolan-3-amine is CC1CS(=O)(=O)CC1N.
What is the InChIKey of 4-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is YYGNWYCWJLWHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4-2-9(7,8)3-5(4)6/h4-5H,2-3,6H2,1H3.
What are the key properties of 4-methyl-1,1-dioxothiolan-3-amine?
4-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 149.21 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 5223471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).