1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide

C7H15NOS — CID 157159179

IUPAC1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide
SMILESC=S1(=O)CCCN1C(C)C
InChIInChI=1S/C7H15NOS/c1-7(2)8-5-4-6-10(8,3)9/h7H,3-6H2,1-2H3
InChIKeyZCEATQPKOMFBOT-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.73
Rot. Bonds1

About 1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide

1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide (PubChem CID 157159179) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide.

Molecular Properties

Compound Name1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide
PubChem CID157159179
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide
SMILESC=S1(=O)CCCN1C(C)C
InChIInChI=1S/C7H15NOS/c1-7(2)8-5-4-6-10(8,3)9/h7H,3-6H2,1-2H3
InChIKeyZCEATQPKOMFBOT-UHFFFAOYSA-N
XLogP0.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Isopropylisothiazolidine 1,1-dioxide
CID 10749528
2-Methyl-1,2-thiazolidine 1-oxide
CID 23516051
1-Methylidene-2-propan-2-yl-1,2-thiazolidine
CID 57529284
2,3-Dimethyl-1-methylidene-1,2-thiazolidine
CID 58782516
2-Tert-butyl-1,2-thiazolidine 1-oxide
CID 58791153
2-Methyl-1-methylidene-1,2-thiazolidine 1-oxide
CID 59425318
2-Tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide
CID 59553935
2-Propan-2-yl-1,2-thiazolidine 1-oxide
CID 59794349
3-Methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 67807904
Methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-lambda6-sulfane
CID 88915704
2-Butan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 89368260
1-Propan-2-ylsulfinylpyrrolidine
CID 126646950

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide?
The IUPAC name of 1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide (CID 157159179) is 1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide.
What is the SMILES notation for 1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide?
The canonical SMILES for 1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide is C=S1(=O)CCCN1C(C)C.
What is the InChIKey of 1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide?
The InChIKey is ZCEATQPKOMFBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2)8-5-4-6-10(8,3)9/h7H,3-6H2,1-2H3.
What are the key properties of 1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide?
1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide has a molecular weight of 161.27 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide is sourced from PubChem (CID 157159179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).