(3R)-1-imino-3-methylthiolane 1-oxide

C5H11NOS — CID 135247902

IUPAC(3R)-1-imino-3-methylthiolane 1-oxide
SMILES[H]N=S1(=O)CC[C@@H](C)C1
InChIInChI=1S/C5H11NOS/c1-5-2-3-8(6,7)4-5/h5-6H,2-4H2,1H3/t5-,8?/m1/s1
InChIKeyMVDUCDUIACVFER-RUQIKYNFSA-N
MW133.22 g/mol
LogP1.07
Rot. Bonds

About (3R)-1-imino-3-methylthiolane 1-oxide

(3R)-1-imino-3-methylthiolane 1-oxide (PubChem CID 135247902) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (3R)-1-imino-3-methylthiolane 1-oxide.

Molecular Properties

Compound Name(3R)-1-imino-3-methylthiolane 1-oxide
PubChem CID135247902
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(3R)-1-imino-3-methylthiolane 1-oxide
SMILES[H]N=S1(=O)CC[C@@H](C)C1
InChIInChI=1S/C5H11NOS/c1-5-2-3-8(6,7)4-5/h5-6H,2-4H2,1H3/t5-,8?/m1/s1
InChIKeyMVDUCDUIACVFER-RUQIKYNFSA-N
XLogP1.07
TPSA40.92 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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-imino-3-methylthiolane 1-oxide?
The IUPAC name of (3R)-1-imino-3-methylthiolane 1-oxide (CID 135247902) is (3R)-1-imino-3-methylthiolane 1-oxide.
What is the SMILES notation for (3R)-1-imino-3-methylthiolane 1-oxide?
The canonical SMILES for (3R)-1-imino-3-methylthiolane 1-oxide is [H]N=S1(=O)CC[C@@H](C)C1.
What is the InChIKey of (3R)-1-imino-3-methylthiolane 1-oxide?
The InChIKey is MVDUCDUIACVFER-RUQIKYNFSA-N. The full InChI is InChI=1S/C5H11NOS/c1-5-2-3-8(6,7)4-5/h5-6H,2-4H2,1H3/t5-,8?/m1/s1.
What are the key properties of (3R)-1-imino-3-methylthiolane 1-oxide?
(3R)-1-imino-3-methylthiolane 1-oxide has a molecular weight of 133.22 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-imino-3-methylthiolane 1-oxide is sourced from PubChem (CID 135247902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).