1-imino-3-methylthiolane 1-oxide

C5H11NOS — CID 58103691

IUPAC1-imino-3-methylthiolane 1-oxide
SMILES[H]N=S1(=O)CCC(C)C1
InChIInChI=1S/C5H11NOS/c1-5-2-3-8(6,7)4-5/h5-6H,2-4H2,1H3
InChIKeyMVDUCDUIACVFER-UHFFFAOYSA-N
MW133.22 g/mol
LogP1.07
Rot. Bonds

About 1-imino-3-methylthiolane 1-oxide

1-imino-3-methylthiolane 1-oxide (PubChem CID 58103691) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 1-imino-3-methylthiolane 1-oxide.

Molecular Properties

Compound Name1-imino-3-methylthiolane 1-oxide
PubChem CID58103691
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name1-imino-3-methylthiolane 1-oxide
SMILES[H]N=S1(=O)CCC(C)C1
InChIInChI=1S/C5H11NOS/c1-5-2-3-8(6,7)4-5/h5-6H,2-4H2,1H3
InChIKeyMVDUCDUIACVFER-UHFFFAOYSA-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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Related Compounds

3-Methylthiolane 1-oxide
CID 13363184
S,S-tetramethylenesulfoximide
CID 11274993
3,4-dimethylthiolane S-oxide
CID 89449818
Imino(methyl)(3-methylbutyl)-lambda6-sulfanone
CID 134335189
(1R,3S)-3-Methyl-tetrahydro-thiophene 1-oxide
CID 58422572
(1R,3R)-3-Methyl-tetrahydro-thiophene 1-oxide
CID 58422575
1-Imino-2-methyl-thiolane 1-oxide
CID 58103688
3-Methyl-1-methyliminothiolane 1-oxide
CID 59265963
3-Methyl-1-methylidenethiolane 1-oxide
CID 59332731
(3S)-3-methylthiolane 1-oxide
CID 90131100
(3R)-3-methylthiolane 1-oxide
CID 118055104
Imino(methyl)(2-methylpropyl)-lambda6-sulfanone
CID 118931484

Frequently Asked Questions

What is the IUPAC name of 1-imino-3-methylthiolane 1-oxide?
The IUPAC name of 1-imino-3-methylthiolane 1-oxide (CID 58103691) is 1-imino-3-methylthiolane 1-oxide.
What is the SMILES notation for 1-imino-3-methylthiolane 1-oxide?
The canonical SMILES for 1-imino-3-methylthiolane 1-oxide is [H]N=S1(=O)CCC(C)C1.
What is the InChIKey of 1-imino-3-methylthiolane 1-oxide?
The InChIKey is MVDUCDUIACVFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-5-2-3-8(6,7)4-5/h5-6H,2-4H2,1H3.
What are the key properties of 1-imino-3-methylthiolane 1-oxide?
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 1-imino-3-methylthiolane 1-oxide is sourced from PubChem (CID 58103691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).