1-methyliminothiolane 1-oxide

C5H11NOS — CID 59215214

IUPAC1-methyliminothiolane 1-oxide
SMILESCN=S1(=O)CCCC1
InChIInChI=1S/C5H11NOS/c1-6-8(7)4-2-3-5-8/h2-5H2,1H3
InChIKeyNLGKCIOQBUJKAZ-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.88
Rot. Bonds

About 1-methyliminothiolane 1-oxide

1-methyliminothiolane 1-oxide (PubChem CID 59215214) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 1-methyliminothiolane 1-oxide.

Molecular Properties

Compound Name1-methyliminothiolane 1-oxide
PubChem CID59215214
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name1-methyliminothiolane 1-oxide
SMILESCN=S1(=O)CCCC1
InChIInChI=1S/C5H11NOS/c1-6-8(7)4-2-3-5-8/h2-5H2,1H3
InChIKeyNLGKCIOQBUJKAZ-UHFFFAOYSA-N
XLogP0.88
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

S,S-tetramethylenesulfoximide
CID 11274993
Butyl-methyl-methylimino-oxo-lambda6-sulfane
CID 12463941
2-Ethyl-1-methyliminothiolane 1-oxide
CID 58088371
1-Imino-2-methyl-thiolane 1-oxide
CID 58103688
Methylimino-oxo-dipropyl-lambda6-sulfane
CID 58308291
Diethyl-methylimino-oxo-lambda6-sulfane
CID 58308321
1-Methylimino-2,3,4,5-tetrahydrothiophen-5-ide 1-oxide;yttrium
CID 59215213
3-Methyl-1-methyliminothiolane 1-oxide
CID 59265963
(1-Oxothiolan-1-ylidene)azanide;yttrium
CID 59297091
1-Methyliminothiolane
CID 59860524
Methyl-methylimino-oxo-propan-2-yl-lambda6-sulfane
CID 117829471
1-Iodoiminothiolane 1-oxide
CID 126488994

Frequently Asked Questions

What is the IUPAC name of 1-methyliminothiolane 1-oxide?
The IUPAC name of 1-methyliminothiolane 1-oxide (CID 59215214) is 1-methyliminothiolane 1-oxide.
What is the SMILES notation for 1-methyliminothiolane 1-oxide?
The canonical SMILES for 1-methyliminothiolane 1-oxide is CN=S1(=O)CCCC1.
What is the InChIKey of 1-methyliminothiolane 1-oxide?
The InChIKey is NLGKCIOQBUJKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-6-8(7)4-2-3-5-8/h2-5H2,1H3.
What are the key properties of 1-methyliminothiolane 1-oxide?
1-methyliminothiolane 1-oxide has a molecular weight of 133.22 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyliminothiolane 1-oxide is sourced from PubChem (CID 59215214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).