3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide

C11H20N4O3S2 — CID 103506984

IUPAC3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide
SMILESCC(CNc1sc(C(N)=O)c(N)c1S(C)(=O)=O)N(C)C
InChIInChI=1S/C11H20N4O3S2/c1-6(15(2)3)5-14-11-9(20(4,17)18)7(12)8(19-11)10(13)16/h6,14H,5,12H2,1-4H3,(H2,13,16)
InChIKeyHTHCGDOCOCKHCU-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.19
Rot. Bonds6

About 3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide

3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103506984) has the molecular formula C11H20N4O3S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103506984
Molecular FormulaC11H20N4O3S2
Molecular Weight320.44 g/mol
Exact Mass320.10
IUPAC Name3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide
SMILESCC(CNc1sc(C(N)=O)c(N)c1S(C)(=O)=O)N(C)C
InChIInChI=1S/C11H20N4O3S2/c1-6(15(2)3)5-14-11-9(20(4,17)18)7(12)8(19-11)10(13)16/h6,14H,5,12H2,1-4H3,(H2,13,16)
InChIKeyHTHCGDOCOCKHCU-UHFFFAOYSA-N
XLogP0.19
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103506973
3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103423842
3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423807
3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506464
3-amino-5-(hexylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103420091
3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103428586
1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103424424
1-[3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103424294
ethyl 3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425653
3-amino-5-[(3-methylcyclopentyl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 107416234
3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide
CID 103507182
3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103507837

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide (CID 103506984) is 3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide is CC(CNc1sc(C(N)=O)c(N)c1S(C)(=O)=O)N(C)C.
What is the InChIKey of 3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is HTHCGDOCOCKHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S2/c1-6(15(2)3)5-14-11-9(20(4,17)18)7(12)8(19-11)10(13)16/h6,14H,5,12H2,1-4H3,(H2,13,16).
What are the key properties of 3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide?
3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103506984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).