(4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide

C14H22N2O2S — CID 99621636

IUPAC(4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCCN(C)C(=O)[C@H]1CSCN1C(=O)C1=CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-3-15(2)14(18)12-9-19-10-16(12)13(17)11-7-5-4-6-8-11/h7,12H,3-6,8-10H2,1-2H3/t12-/m1/s1
InChIKeyXJGOHRYLAZSTEE-GFCCVEGCSA-N
MW282.41 g/mol
LogP1.87
Rot. Bonds3

About (4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide

(4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 99621636) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID99621636
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCCN(C)C(=O)[C@H]1CSCN1C(=O)C1=CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-3-15(2)14(18)12-9-19-10-16(12)13(17)11-7-5-4-6-8-11/h7,12H,3-6,8-10H2,1-2H3/t12-/m1/s1
InChIKeyXJGOHRYLAZSTEE-GFCCVEGCSA-N
XLogP1.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 95312190
4-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)-methylamino]butanoic acid
CID 119172932
3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55509742
(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61389230
(4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 55941886
N,N-dimethylcyclohexene-1-carboxamide
CID 11019067
(4S)-3-(1,3-benzodioxole-5-carbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
CID 95159280
(4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95174309
(4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 95569010
N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 136526904
N-(furan-2-ylmethyl)-N-methyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 71879400
tert-butyl (4R)-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 95291713

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide (CID 99621636) is (4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide is CCN(C)C(=O)[C@H]1CSCN1C(=O)C1=CCCCC1.
What is the InChIKey of (4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is XJGOHRYLAZSTEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-15(2)14(18)12-9-19-10-16(12)13(17)11-7-5-4-6-8-11/h7,12H,3-6,8-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide?
(4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 99621636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).