N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide

C15H20N2O3S3 — CID 2443118

IUPACN-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
SMILESCC[C@H]1SC(=NS(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O
InChIInChI=1S/C15H20N2O3S3/c1-2-12-14(18)17(11-7-4-3-5-8-11)15(22-12)16-23(19,20)13-9-6-10-21-13/h6,9-12H,2-5,7-8H2,1H3/t12-/m1/s1
InChIKeyKEOKPNMCWRVXNB-GFCCVEGCSA-N
MW372.54 g/mol
LogP3.48
Rot. Bonds4

About N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide

N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide (PubChem CID 2443118) has the molecular formula C15H20N2O3S3 and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
PubChem CID2443118
Molecular FormulaC15H20N2O3S3
Molecular Weight372.54 g/mol
Exact Mass372.06
IUPAC NameN-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
SMILESCC[C@H]1SC(=NS(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O
InChIInChI=1S/C15H20N2O3S3/c1-2-12-14(18)17(11-7-4-3-5-8-11)15(22-12)16-23(19,20)13-9-6-10-21-13/h6,9-12H,2-5,7-8H2,1H3/t12-/m1/s1
InChIKeyKEOKPNMCWRVXNB-GFCCVEGCSA-N
XLogP3.48
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 51575167
N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
CID 4535450
N-[(5E)-3-cyclohexyl-5-(dimethylaminomethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 7273285
N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide
CID 4520715
N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 7273269
2-[2-(5-chlorothiophen-2-yl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3921463
2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 51858935
N-(4-chlorophenyl)-2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 51670297
2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 51663556
2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 98163008
2-[(2E)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 6179879
N-(4-methoxyphenyl)-2-(4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl)acetamide
CID 4317700

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The IUPAC name of N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide (CID 2443118) is N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The canonical SMILES for N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide is CC[C@H]1SC(=NS(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O.
What is the InChIKey of N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The InChIKey is KEOKPNMCWRVXNB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O3S3/c1-2-12-14(18)17(11-7-4-3-5-8-11)15(22-12)16-23(19,20)13-9-6-10-21-13/h6,9-12H,2-5,7-8H2,1H3/t12-/m1/s1.
What are the key properties of N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide has a molecular weight of 372.54 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 2443118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).