(1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide

C12H16N2O3S — CID 51984111

IUPAC(1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCN1C(=O)CSC1=O)[C@@H]1CC=CCC1
InChIInChI=1S/C12H16N2O3S/c15-10-8-18-12(17)14(10)7-6-13-11(16)9-4-2-1-3-5-9/h1-2,9H,3-8H2,(H,13,16)/t9-/m1/s1
InChIKeyZEPLKZLRBCNUGG-SECBINFHSA-N
MW268.34 g/mol
LogP1.15
Rot. Bonds4

About (1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 51984111) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID51984111
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCN1C(=O)CSC1=O)[C@@H]1CC=CCC1
InChIInChI=1S/C12H16N2O3S/c15-10-8-18-12(17)14(10)7-6-13-11(16)9-4-2-1-3-5-9/h1-2,9H,3-8H2,(H,13,16)/t9-/m1/s1
InChIKeyZEPLKZLRBCNUGG-SECBINFHSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(cyclopropylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95129571
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989
(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 124754580
N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclohex-3-ene-1-carboxamide
CID 24536804
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide
CID 108814531
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55958398
N-[2-(cyclohex-3-ene-1-carbonylamino)ethyl]-2,6-difluorobenzamide
CID 56789006
N-[2-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]ethyl]-2,6-difluorobenzamide
CID 95624826
3-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 43470811
(1S)-N-[2-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 124892405
(1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 97417285

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide (CID 51984111) is (1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide is O=C(NCCN1C(=O)CSC1=O)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZEPLKZLRBCNUGG-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-10-8-18-12(17)14(10)7-6-13-11(16)9-4-2-1-3-5-9/h1-2,9H,3-8H2,(H,13,16)/t9-/m1/s1.
What are the key properties of (1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51984111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).