(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide

C14H19NO3S — CID 51463150

IUPAC(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H19NO3S/c1-10(2)11-3-5-13(6-4-11)15-14(16)12-7-8-19(17,18)9-12/h3-6,10,12H,7-9H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyLGEZEUBEXILVCU-GFCCVEGCSA-N
MW281.38 g/mol
LogP2.18
Rot. Bonds3

About (3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide

(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide (PubChem CID 51463150) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide
PubChem CID51463150
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H19NO3S/c1-10(2)11-3-5-13(6-4-11)15-14(16)12-7-8-19(17,18)9-12/h3-6,10,12H,7-9H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyLGEZEUBEXILVCU-GFCCVEGCSA-N
XLogP2.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 17466033
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
1,1-dioxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]thiolane-3-carboxamide;formic acid
CID 163341406
N-(3-acetamidophenyl)-1,1-dioxothiolane-3-carboxamide
CID 18089391
1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide
CID 60674860
(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9081263
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
1,1-dioxo-N-(4-phenyldiazenylphenyl)thiolane-3-carboxamide
CID 71901635
(3S)-N-(3-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 8871781

Frequently Asked Questions

What is the IUPAC name of (3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide?
The IUPAC name of (3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide (CID 51463150) is (3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide.
What is the SMILES notation for (3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide?
The canonical SMILES for (3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide is CC(C)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of (3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide?
The InChIKey is LGEZEUBEXILVCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10(2)11-3-5-13(6-4-11)15-14(16)12-7-8-19(17,18)9-12/h3-6,10,12H,7-9H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide?
(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide is sourced from PubChem (CID 51463150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).