(4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide

C12H19NO2S — CID 130351968

IUPAC(4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide
SMILESC=C/C=C1/CN(C(C)(C)C)S(=O)(=O)/C1=C/C
InChIInChI=1S/C12H19NO2S/c1-6-8-10-9-13(12(3,4)5)16(14,15)11(10)7-2/h6-8H,1,9H2,2-5H3/b10-8-,11-7+
InChIKeyUIFSZWBLIAILHS-FIUNUOGESA-N
MW241.36 g/mol
LogP2.45
Rot. Bonds1

About (4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide

(4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide (PubChem CID 130351968) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is (4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide
PubChem CID130351968
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name(4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide
SMILESC=C/C=C1/CN(C(C)(C)C)S(=O)(=O)/C1=C/C
InChIInChI=1S/C12H19NO2S/c1-6-8-10-9-13(12(3,4)5)16(14,15)11(10)7-2/h6-8H,1,9H2,2-5H3/b10-8-,11-7+
InChIKeyUIFSZWBLIAILHS-FIUNUOGESA-N
XLogP2.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(3E,4E)-3-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
CID 171627448
(3E,4Z)-3-ethylidene-1-methyl-4-prop-2-enylidenepiperidine
CID 89468901
2-ethylidene-3-prop-2-enylidenethiolane
CID 123580390
1-ethylidene-2-prop-2-enylidenecyclooctane
CID 91407681
3-ethylidene-4-prop-2-enylideneoxolane
CID 90927536
(3E,4E)-4-ethylidene-2-methylidene-1-propan-2-yl-3-prop-2-enylidenepyrrolidine
CID 170363946
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecycloheptane
CID 143924638
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one
CID 145152777
ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine
CID 170763545
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidine
CID 135293785
ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one
CID 143243807
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane
CID 144973587

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of (4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide (CID 130351968) is (4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for (4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for (4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide is C=C/C=C1/CN(C(C)(C)C)S(=O)(=O)/C1=C/C.
What is the InChIKey of (4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide?
The InChIKey is UIFSZWBLIAILHS-FIUNUOGESA-N. The full InChI is InChI=1S/C12H19NO2S/c1-6-8-10-9-13(12(3,4)5)16(14,15)11(10)7-2/h6-8H,1,9H2,2-5H3/b10-8-,11-7+.
What are the key properties of (4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide?
(4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide has a molecular weight of 241.36 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-2-tert-butyl-5-ethylidene-4-prop-2-enylidene-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 130351968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).