(3R,4R)-4-methyl-1,1-dioxothiolan-3-amine

C5H11NO2S — CID 90367970

IUPAC(3R,4R)-4-methyl-1,1-dioxothiolan-3-amine
SMILESC[C@H]1CS(=O)(=O)C[C@@H]1N
InChIInChI=1S/C5H11NO2S/c1-4-2-9(7,8)3-5(4)6/h4-5H,2-3,6H2,1H3/t4-,5-/m0/s1
InChIKeyYYGNWYCWJLWHCR-WHFBIAKZSA-N
MW149.21 g/mol
LogP-0.62
Rot. Bonds

About (3R,4R)-4-methyl-1,1-dioxothiolan-3-amine

(3R,4R)-4-methyl-1,1-dioxothiolan-3-amine (PubChem CID 90367970) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is (3R,4R)-4-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-methyl-1,1-dioxothiolan-3-amine
PubChem CID90367970
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name(3R,4R)-4-methyl-1,1-dioxothiolan-3-amine
SMILESC[C@H]1CS(=O)(=O)C[C@@H]1N
InChIInChI=1S/C5H11NO2S/c1-4-2-9(7,8)3-5(4)6/h4-5H,2-3,6H2,1H3/t4-,5-/m0/s1
InChIKeyYYGNWYCWJLWHCR-WHFBIAKZSA-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 (3R,4R)-4-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of (3R,4R)-4-methyl-1,1-dioxothiolan-3-amine (CID 90367970) is (3R,4R)-4-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3R,4R)-4-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3R,4R)-4-methyl-1,1-dioxothiolan-3-amine is C[C@H]1CS(=O)(=O)C[C@@H]1N.
What is the InChIKey of (3R,4R)-4-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is YYGNWYCWJLWHCR-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4-2-9(7,8)3-5(4)6/h4-5H,2-3,6H2,1H3/t4-,5-/m0/s1.
What are the key properties of (3R,4R)-4-methyl-1,1-dioxothiolan-3-amine?
(3R,4R)-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 (3R,4R)-4-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 90367970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).