2-methyl-1,1-dioxothiolan-3-amine

C5H11NO2S — CID 59657878

IUPAC2-methyl-1,1-dioxothiolan-3-amine
SMILESCC1C(N)CCS1(=O)=O
InChIInChI=1S/C5H11NO2S/c1-4-5(6)2-3-9(4,7)8/h4-5H,2-3,6H2,1H3
InChIKeyAAXIXYQGWDWIIM-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.48
Rot. Bonds

About 2-methyl-1,1-dioxothiolan-3-amine

2-methyl-1,1-dioxothiolan-3-amine (PubChem CID 59657878) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is 2-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name2-methyl-1,1-dioxothiolan-3-amine
PubChem CID59657878
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name2-methyl-1,1-dioxothiolan-3-amine
SMILESCC1C(N)CCS1(=O)=O
InChIInChI=1S/C5H11NO2S/c1-4-5(6)2-3-9(4,7)8/h4-5H,2-3,6H2,1H3
InChIKeyAAXIXYQGWDWIIM-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of 2-methyl-1,1-dioxothiolan-3-amine (CID 59657878) is 2-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 2-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for 2-methyl-1,1-dioxothiolan-3-amine is CC1C(N)CCS1(=O)=O.
What is the InChIKey of 2-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is AAXIXYQGWDWIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4-5(6)2-3-9(4,7)8/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-methyl-1,1-dioxothiolan-3-amine?
2-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 149.21 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 59657878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).