4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide

C11H18N2O2S2 — CID 114150699

IUPAC4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C11H18N2O2S2/c1-6(10(5-14)16-3)13-11(15)9-4-8(12)7(2)17-9/h4,6,10,14H,5,12H2,1-3H3,(H,13,15)
InChIKeyKDFPNQFXGLVGMV-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.48
Rot. Bonds5

About 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide

4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 114150699) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID114150699
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C11H18N2O2S2/c1-6(10(5-14)16-3)13-11(15)9-4-8(12)7(2)17-9/h4,6,10,14H,5,12H2,1-3H3,(H,13,15)
InChIKeyKDFPNQFXGLVGMV-UHFFFAOYSA-N
XLogP1.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide
CID 65310256
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,5-dimethylthiophene-3-carboxamide
CID 103798853
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
CID 103798681
2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide
CID 103798696
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 106152545
5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide
CID 106152505
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103801419
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 103801249
3-amino-2-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150738
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
CID 64929974

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide (CID 114150699) is 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide is CSC(CO)C(C)NC(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is KDFPNQFXGLVGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-6(10(5-14)16-3)13-11(15)9-4-8(12)7(2)17-9/h4,6,10,14H,5,12H2,1-3H3,(H,13,15).
What are the key properties of 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide?
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 114150699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).