3-methyl-1-methyliminothiolane 1-oxide

C6H13NOS — CID 59265963

IUPAC3-methyl-1-methyliminothiolane 1-oxide
SMILESCN=S1(=O)CCC(C)C1
InChIInChI=1S/C6H13NOS/c1-6-3-4-9(8,5-6)7-2/h6H,3-5H2,1-2H3
InChIKeyKFLGGALJFAJJKE-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.12
Rot. Bonds

About 3-methyl-1-methyliminothiolane 1-oxide

3-methyl-1-methyliminothiolane 1-oxide (PubChem CID 59265963) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-methyl-1-methyliminothiolane 1-oxide.

Molecular Properties

Compound Name3-methyl-1-methyliminothiolane 1-oxide
PubChem CID59265963
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-methyl-1-methyliminothiolane 1-oxide
SMILESCN=S1(=O)CCC(C)C1
InChIInChI=1S/C6H13NOS/c1-6-3-4-9(8,5-6)7-2/h6H,3-5H2,1-2H3
InChIKeyKFLGGALJFAJJKE-UHFFFAOYSA-N
XLogP1.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylthiolane 1-oxide
CID 13363184
(1R,3S)-3-Methyl-tetrahydro-thiophene 1-oxide
CID 58422572
(1R,3R)-3-Methyl-tetrahydro-thiophene 1-oxide
CID 58422575
1-Imino-3-methyl-thiolane 1-oxide
CID 58103691
1-Methylimino-2,3,4,5-tetrahydrothiophen-5-ide 1-oxide;yttrium
CID 59215213
1-Methyliminothiolane 1-oxide
CID 59215214
(3S)-3-methylthiolane 1-oxide
CID 90131100
(3R)-3-methylthiolane 1-oxide
CID 118055104
(1R)-3-methylthiolane 1-oxide
CID 126635703
(3R)-1-imino-3-methylthiolane 1-oxide
CID 135247902
1-(2-methylpropyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide
CID 149090798
Methyl-methylimino-(2-methylpropyl)-oxo-lambda6-sulfane
CID 156299657

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methyliminothiolane 1-oxide?
The IUPAC name of 3-methyl-1-methyliminothiolane 1-oxide (CID 59265963) is 3-methyl-1-methyliminothiolane 1-oxide.
What is the SMILES notation for 3-methyl-1-methyliminothiolane 1-oxide?
The canonical SMILES for 3-methyl-1-methyliminothiolane 1-oxide is CN=S1(=O)CCC(C)C1.
What is the InChIKey of 3-methyl-1-methyliminothiolane 1-oxide?
The InChIKey is KFLGGALJFAJJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-6-3-4-9(8,5-6)7-2/h6H,3-5H2,1-2H3.
What are the key properties of 3-methyl-1-methyliminothiolane 1-oxide?
3-methyl-1-methyliminothiolane 1-oxide has a molecular weight of 147.24 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methyliminothiolane 1-oxide is sourced from PubChem (CID 59265963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).