1-iminothiolane 1-oxide

C4H9NOS — CID 11274993

IUPAC1-iminothiolane 1-oxide
SMILES[H]N=S1(=O)CCCC1
InChIInChI=1S/C4H9NOS/c5-7(6)3-1-2-4-7/h5H,1-4H2
InChIKeyNMBDLXYCYHEBDJ-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.83
Rot. Bonds

About 1-iminothiolane 1-oxide

1-iminothiolane 1-oxide (PubChem CID 11274993) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 1-iminothiolane 1-oxide.

Molecular Properties

Compound Name1-iminothiolane 1-oxide
PubChem CID11274993
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name1-iminothiolane 1-oxide
SMILES[H]N=S1(=O)CCCC1
InChIInChI=1S/C4H9NOS/c5-7(6)3-1-2-4-7/h5H,1-4H2
InChIKeyNMBDLXYCYHEBDJ-UHFFFAOYSA-N
XLogP0.83
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetramethylene sulfoxide
CID 1128
Iminodipropyl-lambda6-sulfanone
CID 87365843
2-(S-methylsulfonimidoyl)butane
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Thiosulfolane
CID 70626215
Tetramethylene sulfoxide hydrochloride
CID 129811920
Butyl-imino-methyl-oxo-lambda6-sulfane
CID 12463934
2-Ethyl-1-iminothiolane 1-oxide
CID 58088370
1-Imino-2-methyl-thiolane 1-oxide
CID 58103688
1-Imino-3-methyl-thiolane 1-oxide
CID 58103691
1-Methylidenethiolane 1-oxide
CID 58483106
1-Methyliminothiolane 1-oxide
CID 59215214
(1-Oxothiolan-1-ylidene)azanide;yttrium
CID 59297091

Frequently Asked Questions

What is the IUPAC name of 1-iminothiolane 1-oxide?
The IUPAC name of 1-iminothiolane 1-oxide (CID 11274993) is 1-iminothiolane 1-oxide.
What is the SMILES notation for 1-iminothiolane 1-oxide?
The canonical SMILES for 1-iminothiolane 1-oxide is [H]N=S1(=O)CCCC1.
What is the InChIKey of 1-iminothiolane 1-oxide?
The InChIKey is NMBDLXYCYHEBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c5-7(6)3-1-2-4-7/h5H,1-4H2.
What are the key properties of 1-iminothiolane 1-oxide?
1-iminothiolane 1-oxide has a molecular weight of 119.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iminothiolane 1-oxide is sourced from PubChem (CID 11274993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).