3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide

C7H10N2O3S3 — CID 103526743

IUPAC3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide
SMILESCSc1sc(C(N)=O)c(N)c1S(C)(=O)=O
InChIInChI=1S/C7H10N2O3S3/c1-13-7-5(15(2,11)12)3(8)4(14-7)6(9)10/h8H2,1-2H3,(H2,9,10)
InChIKeyYSSBOFCEJIQALN-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.55
Rot. Bonds3

About 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide

3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103526743) has the molecular formula C7H10N2O3S3 and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103526743
Molecular FormulaC7H10N2O3S3
Molecular Weight266.37 g/mol
Exact Mass265.99
IUPAC Name3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide
SMILESCSc1sc(C(N)=O)c(N)c1S(C)(=O)=O
InChIInChI=1S/C7H10N2O3S3/c1-13-7-5(15(2,11)12)3(8)4(14-7)6(9)10/h8H2,1-2H3,(H2,9,10)
InChIKeyYSSBOFCEJIQALN-UHFFFAOYSA-N
XLogP0.55
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide
CID 103526720
1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone
CID 103526669
1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one
CID 103526645
3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103426574
3-amino-5-(hexylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103420091
3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide
CID 103526684
5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide
CID 103526621
3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103418523
3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103506984
3-amino-5-[(4-methylpiperazin-1-yl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103505871
3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103542462
3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422827

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide (CID 103526743) is 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide is CSc1sc(C(N)=O)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is YSSBOFCEJIQALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S3/c1-13-7-5(15(2,11)12)3(8)4(14-7)6(9)10/h8H2,1-2H3,(H2,9,10).
What are the key properties of 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide?
3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103526743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).