3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide

C9H14N2O2S — CID 83176272

IUPAC3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
SMILESCC(CCO)NC(=O)c1sccc1N
InChIInChI=1S/C9H14N2O2S/c1-6(2-4-12)11-9(13)8-7(10)3-5-14-8/h3,5-6,12H,2,4,10H2,1H3,(H,11,13)
InChIKeyGYVNBNDYAHYKHN-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.83
Rot. Bonds4

About 3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide

3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide (PubChem CID 83176272) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
PubChem CID83176272
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
SMILESCC(CCO)NC(=O)c1sccc1N
InChIInChI=1S/C9H14N2O2S/c1-6(2-4-12)11-9(13)8-7(10)3-5-14-8/h3,5-6,12H,2,4,10H2,1H3,(H,11,13)
InChIKeyGYVNBNDYAHYKHN-UHFFFAOYSA-N
XLogP0.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83186616
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide
CID 61103749
3-amino-N-hexan-3-ylthiophene-2-carboxamide
CID 62092927
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
3-amino-N-(1-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 62840601
N-[(2R)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 130616224
3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide
CID 83142073
N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
CID 61092677
N-[(2R)-1-aminopropan-2-yl]-3-ethylthiophene-2-carboxamide
CID 104872864

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide (CID 83176272) is 3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide is CC(CCO)NC(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide?
The InChIKey is GYVNBNDYAHYKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(2-4-12)11-9(13)8-7(10)3-5-14-8/h3,5-6,12H,2,4,10H2,1H3,(H,11,13).
What are the key properties of 3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide?
3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 83176272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).