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

C14H18N2O3S3 — CID 51575167

IUPACN-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
SMILESC[C@H]1SC(=NS(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O
InChIInChI=1S/C14H18N2O3S3/c1-10-13(17)16(11-6-3-2-4-7-11)14(21-10)15-22(18,19)12-8-5-9-20-12/h5,8-11H,2-4,6-7H2,1H3/t10-/m1/s1
InChIKeyUIUVFACNPCTHQZ-SNVBAGLBSA-N
MW358.51 g/mol
LogP3.09
Rot. Bonds3

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

N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide (PubChem CID 51575167) has the molecular formula C14H18N2O3S3 and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
PubChem CID51575167
Molecular FormulaC14H18N2O3S3
Molecular Weight358.51 g/mol
Exact Mass358.05
IUPAC NameN-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
SMILESC[C@H]1SC(=NS(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O
InChIInChI=1S/C14H18N2O3S3/c1-10-13(17)16(11-6-3-2-4-7-11)14(21-10)15-22(18,19)12-8-5-9-20-12/h5,8-11H,2-4,6-7H2,1H3/t10-/m1/s1
InChIKeyUIUVFACNPCTHQZ-SNVBAGLBSA-N
XLogP3.09
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.09
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-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 2443118
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
N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
CID 4535450
1-thiophen-2-ylsulfonylpiperidine
CID 765823
2-[2-(5-chlorothiophen-2-yl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3921463
N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 7343736
2-thiophen-2-ylsulfonyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49246031
1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553167
N,N-dicyclohexylthiophene-2-sulfonamide
CID 19682432
2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 98163008

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The IUPAC name of N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide (CID 51575167) is N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The canonical SMILES for N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide is C[C@H]1SC(=NS(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O.
What is the InChIKey of N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The InChIKey is UIUVFACNPCTHQZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O3S3/c1-10-13(17)16(11-6-3-2-4-7-11)14(21-10)15-22(18,19)12-8-5-9-20-12/h5,8-11H,2-4,6-7H2,1H3/t10-/m1/s1.
What are the key properties of N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.09, 3 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-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 51575167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).