N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide

C11H12N2O3S3 — CID 7273269

IUPACN-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
SMILESC=CCN1C(=O)[C@H](C)SC1=NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H12N2O3S3/c1-3-6-13-10(14)8(2)18-11(13)12-19(15,16)9-5-4-7-17-9/h3-5,7-8H,1,6H2,2H3/t8-/m0/s1
InChIKeyLNIWZECCMKMTIM-QMMMGPOBSA-N
MW316.43 g/mol
LogP1.94
Rot. Bonds4

About N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide

N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide (PubChem CID 7273269) has the molecular formula C11H12N2O3S3 and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
PubChem CID7273269
Molecular FormulaC11H12N2O3S3
Molecular Weight316.43 g/mol
Exact Mass316.00
IUPAC NameN-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
SMILESC=CCN1C(=O)[C@H](C)SC1=NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H12N2O3S3/c1-3-6-13-10(14)8(2)18-11(13)12-19(15,16)9-5-4-7-17-9/h3-5,7-8H,1,6H2,2H3/t8-/m0/s1
InChIKeyLNIWZECCMKMTIM-QMMMGPOBSA-N
XLogP1.94
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
CID 4535450
(NE)-4-bromo-N-(5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 6246576
N-(2-methylphenyl)-2-[(5S)-4-oxo-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide
CID 51445654
N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 51575167
(NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 18398171
N-[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 51445696
N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 7343736
N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 2443118
N-[4-oxo-3-prop-2-enyl-5-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 3881009
4-bromo-N-[(5S)-4-oxo-5-phenyl-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 51567026
(NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
CID 6041804
(NE)-N-[(5Z)-5-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 6299383

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The IUPAC name of N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide (CID 7273269) is N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The canonical SMILES for N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide is C=CCN1C(=O)[C@H](C)SC1=NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The InChIKey is LNIWZECCMKMTIM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12N2O3S3/c1-3-6-13-10(14)8(2)18-11(13)12-19(15,16)9-5-4-7-17-9/h3-5,7-8H,1,6H2,2H3/t8-/m0/s1.
What are the key properties of N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 7273269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).