2-but-3-enyl-2-methyl-1,3-thiazolidine

C8H15NS — CID 3058778

IUPAC2-but-3-enyl-2-methyl-1,3-thiazolidine
SMILESC=CCCC1(C)NCCS1
InChIInChI=1S/C8H15NS/c1-3-4-5-8(2)9-6-7-10-8/h3,9H,1,4-7H2,2H3
InChIKeySIHPZJOASJTCEC-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.01
Rot. Bonds3

About 2-but-3-enyl-2-methyl-1,3-thiazolidine

2-but-3-enyl-2-methyl-1,3-thiazolidine (PubChem CID 3058778) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-but-3-enyl-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-but-3-enyl-2-methyl-1,3-thiazolidine
PubChem CID3058778
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-but-3-enyl-2-methyl-1,3-thiazolidine
SMILESC=CCCC1(C)NCCS1
InChIInChI=1S/C8H15NS/c1-3-4-5-8(2)9-6-7-10-8/h3,9H,1,4-7H2,2H3
InChIKeySIHPZJOASJTCEC-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(4-methylpent-3-en-1-yl)-1,3-thiazolidine
CID 3040236
Thiazolidine, 2-(1,1-dimethylallyl)-2-methyl-
CID 3058777
2-Methyl-2-(pent-4-en-1-yl)-1,3-thiazolidine
CID 3058785
Thiazolidine, 2-(3-pentenyl)-, (E)-
CID 6447464
Thiazolidine, 2-(3-heptenyl)-2-methyl-, (E)-
CID 6447468
Thiazolidine, 2-(3,6-heptadienyl)-2-methyl-, (E)-
CID 6447469
2-Methyl-2-(3-methylbut-3-en-1-yl)-1,3-thiazolidine
CID 3058781
Thiazolidine, 2-methyl-2-(3,4-pentadienyl)-
CID 3058789
2-(Hex-5-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058791
Thiazolidine, 2-(4,5-hexadienyl)-2-methyl-
CID 3058793
Thiazolidine, 2-methyl-2-(3-pentenyl)-, (E)-
CID 6447466
Thiazolidine, 2-(3,5-hexadienyl)-2-methyl-, (E)-
CID 6447467

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-2-methyl-1,3-thiazolidine?
The IUPAC name of 2-but-3-enyl-2-methyl-1,3-thiazolidine (CID 3058778) is 2-but-3-enyl-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-but-3-enyl-2-methyl-1,3-thiazolidine?
The canonical SMILES for 2-but-3-enyl-2-methyl-1,3-thiazolidine is C=CCCC1(C)NCCS1.
What is the InChIKey of 2-but-3-enyl-2-methyl-1,3-thiazolidine?
The InChIKey is SIHPZJOASJTCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-4-5-8(2)9-6-7-10-8/h3,9H,1,4-7H2,2H3.
What are the key properties of 2-but-3-enyl-2-methyl-1,3-thiazolidine?
2-but-3-enyl-2-methyl-1,3-thiazolidine has a molecular weight of 157.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 3058778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).