2-methyl-1,3-oxathiolan-4-amine

C4H9NOS — CID 18717782

IUPAC2-methyl-1,3-oxathiolan-4-amine
SMILESCC1OCC(N)S1
InChIInChI=1S/C4H9NOS/c1-3-6-2-4(5)7-3/h3-4H,2,5H2,1H3
InChIKeyYDMBJELMVLLNJM-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.38
Rot. Bonds

About 2-methyl-1,3-oxathiolan-4-amine

2-methyl-1,3-oxathiolan-4-amine (PubChem CID 18717782) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 2-methyl-1,3-oxathiolan-4-amine.

Molecular Properties

Compound Name2-methyl-1,3-oxathiolan-4-amine
PubChem CID18717782
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name2-methyl-1,3-oxathiolan-4-amine
SMILESCC1OCC(N)S1
InChIInChI=1S/C4H9NOS/c1-3-6-2-4(5)7-3/h3-4H,2,5H2,1H3
InChIKeyYDMBJELMVLLNJM-UHFFFAOYSA-N
XLogP0.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-oxathiolan-4-amine?
The IUPAC name of 2-methyl-1,3-oxathiolan-4-amine (CID 18717782) is 2-methyl-1,3-oxathiolan-4-amine.
What is the SMILES notation for 2-methyl-1,3-oxathiolan-4-amine?
The canonical SMILES for 2-methyl-1,3-oxathiolan-4-amine is CC1OCC(N)S1.
What is the InChIKey of 2-methyl-1,3-oxathiolan-4-amine?
The InChIKey is YDMBJELMVLLNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-3-6-2-4(5)7-3/h3-4H,2,5H2,1H3.
What are the key properties of 2-methyl-1,3-oxathiolan-4-amine?
2-methyl-1,3-oxathiolan-4-amine has a molecular weight of 119.19 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-oxathiolan-4-amine is sourced from PubChem (CID 18717782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).