4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide

C13H17N3O2S — CID 66263312

IUPAC4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide
SMILESCc1sc(NC(=O)C2(C)COCC2N)c(C#N)c1C
InChIInChI=1S/C13H17N3O2S/c1-7-8(2)19-11(9(7)4-14)16-12(17)13(3)6-18-5-10(13)15/h10H,5-6,15H2,1-3H3,(H,16,17)
InChIKeyYWIDHVSOHHXTEA-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.54
Rot. Bonds2

About 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide

4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide (PubChem CID 66263312) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide
PubChem CID66263312
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide
SMILESCc1sc(NC(=O)C2(C)COCC2N)c(C#N)c1C
InChIInChI=1S/C13H17N3O2S/c1-7-8(2)19-11(9(7)4-14)16-12(17)13(3)6-18-5-10(13)15/h10H,5-6,15H2,1-3H3,(H,16,17)
InChIKeyYWIDHVSOHHXTEA-UHFFFAOYSA-N
XLogP1.54
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide
CID 65464284
4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66250036
4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264173
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide
CID 55178133
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methylbut-2-enamide
CID 30659767
4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
CID 66248652
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 63141284
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710766
2-(4-aminopiperidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 43556496
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide
CID 79812801
4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496468

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide (CID 66263312) is 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide is Cc1sc(NC(=O)C2(C)COCC2N)c(C#N)c1C.
What is the InChIKey of 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide?
The InChIKey is YWIDHVSOHHXTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-7-8(2)19-11(9(7)4-14)16-12(17)13(3)6-18-5-10(13)15/h10H,5-6,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide?
4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66263312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).