3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide

C10H14F3N3O3S2 — CID 103422827

IUPAC3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCN(CCC(F)(F)F)c1sc(C(N)=O)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H14F3N3O3S2/c1-16(4-3-10(11,12)13)9-7(21(2,18)19)5(14)6(20-9)8(15)17/h3-4,14H2,1-2H3,(H2,15,17)
InChIKeyBLKHVZUNMBGWTP-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.22
Rot. Bonds5

About 3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide

3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (PubChem CID 103422827) has the molecular formula C10H14F3N3O3S2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
PubChem CID103422827
Molecular FormulaC10H14F3N3O3S2
Molecular Weight345.37 g/mol
Exact Mass345.04
IUPAC Name3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCN(CCC(F)(F)F)c1sc(C(N)=O)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H14F3N3O3S2/c1-16(4-3-10(11,12)13)9-7(21(2,18)19)5(14)6(20-9)8(15)17/h3-4,14H2,1-2H3,(H2,15,17)
InChIKeyBLKHVZUNMBGWTP-UHFFFAOYSA-N
XLogP1.22
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[ethyl(methyl)amino]-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103420941
methyl 3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxylate
CID 103417847
3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103417812
3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103420203
1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
CID 103422855
5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
CID 103422845
3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422189
3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide
CID 103509461
1-[3-amino-5-[cyclopropylmethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103509618
[3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103420887
methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103420197
3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103420942

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (CID 103422827) is 3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is CN(CCC(F)(F)F)c1sc(C(N)=O)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The InChIKey is BLKHVZUNMBGWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3S2/c1-16(4-3-10(11,12)13)9-7(21(2,18)19)5(14)6(20-9)8(15)17/h3-4,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103422827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).