4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide

C12H18N2O2S — CID 61103273

IUPAC4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)C2CCOCC2)cc1N
InChIInChI=1S/C12H18N2O2S/c1-8-10(13)7-11(17-8)12(15)14(2)9-3-5-16-6-4-9/h7,9H,3-6,13H2,1-2H3
InChIKeyUMRATYGOBBOLIT-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.89
Rot. Bonds2

About 4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide

4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide (PubChem CID 61103273) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide
PubChem CID61103273
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)C2CCOCC2)cc1N
InChIInChI=1S/C12H18N2O2S/c1-8-10(13)7-11(17-8)12(15)14(2)9-3-5-16-6-4-9/h7,9H,3-6,13H2,1-2H3
InChIKeyUMRATYGOBBOLIT-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-ethylpiperidin-4-yl)-N,5-dimethylthiophene-2-carboxamide
CID 61092921
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
N-cyclopropyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689679
4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 43644107
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5-methylthiophene-2-carboxamide
CID 61114783
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide
CID 61109172
4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 55160806
3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide
CID 43610598
4-amino-5-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80717145
5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 62814554
3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
CID 64524424

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide (CID 61103273) is 4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide is Cc1sc(C(=O)N(C)C2CCOCC2)cc1N.
What is the InChIKey of 4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide?
The InChIKey is UMRATYGOBBOLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-10(13)7-11(17-8)12(15)14(2)9-3-5-16-6-4-9/h7,9H,3-6,13H2,1-2H3.
What are the key properties of 4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide?
4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 61103273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).