3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide

C12H21N3O3S2 — CID 103423842

IUPAC3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide
SMILESCC(C)CNc1sc(C(=O)N(C)C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H21N3O3S2/c1-7(2)6-14-11-10(20(5,17)18)8(13)9(19-11)12(16)15(3)4/h7,14H,6,13H2,1-5H3
InChIKeyOIPJNKNFASNXEJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.50
Rot. Bonds5

About 3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide

3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103423842) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103423842
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC Name3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide
SMILESCC(C)CNc1sc(C(=O)N(C)C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H21N3O3S2/c1-7(2)6-14-11-10(20(5,17)18)8(13)9(19-11)12(16)15(3)4/h7,14H,6,13H2,1-5H3
InChIKeyOIPJNKNFASNXEJ-UHFFFAOYSA-N
XLogP1.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103506984
1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103506973
3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103428640
3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103427044
3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide
CID 103505774
3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423807
3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
CID 103423168
3-amino-5-[ethyl(methyl)amino]-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103420941
ethyl 3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425653
1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103424424
[3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103425606
1-[3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103424294

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide (CID 103423842) is 3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide is CC(C)CNc1sc(C(=O)N(C)C)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is OIPJNKNFASNXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-7(2)6-14-11-10(20(5,17)18)8(13)9(19-11)12(16)15(3)4/h7,14H,6,13H2,1-5H3.
What are the key properties of 3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide?
3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103423842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).