3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide

C12H20N2OS — CID 83142073

IUPAC3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide
SMILESCC(CNC(=O)c1sccc1N)C(C)(C)C
InChIInChI=1S/C12H20N2OS/c1-8(12(2,3)4)7-14-11(15)10-9(13)5-6-16-10/h5-6,8H,7,13H2,1-4H3,(H,14,15)
InChIKeyKIGGEYPETLYHFP-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.74
Rot. Bonds3

About 3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide

3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide (PubChem CID 83142073) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide
PubChem CID83142073
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide
SMILESCC(CNC(=O)c1sccc1N)C(C)(C)C
InChIInChI=1S/C12H20N2OS/c1-8(12(2,3)4)7-14-11(15)10-9(13)5-6-16-10/h5-6,8H,7,13H2,1-4H3,(H,14,15)
InChIKeyKIGGEYPETLYHFP-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate
CID 107211618
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3-amino-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
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3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide
CID 106289141
3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83176272
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide
CID 83143162
2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 113346830
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide (CID 83142073) is 3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide is CC(CNC(=O)c1sccc1N)C(C)(C)C.
What is the InChIKey of 3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide?
The InChIKey is KIGGEYPETLYHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(12(2,3)4)7-14-11(15)10-9(13)5-6-16-10/h5-6,8H,7,13H2,1-4H3,(H,14,15).
What are the key properties of 3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide?
3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 83142073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).