3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide

C10H17N3O3S2 — CID 103432235

IUPAC3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCCS(C)(=O)=O)cc1N
InChIInChI=1S/C10H17N3O3S2/c1-3-12-10(14)9-7(11)6-8(17-9)13-4-5-18(2,15)16/h6,13H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyJYUJKSVAZQGKHO-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.54
Rot. Bonds6

About 3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide

3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide (PubChem CID 103432235) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
PubChem CID103432235
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCCS(C)(=O)=O)cc1N
InChIInChI=1S/C10H17N3O3S2/c1-3-12-10(14)9-7(11)6-8(17-9)13-4-5-18(2,15)16/h6,13H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyJYUJKSVAZQGKHO-UHFFFAOYSA-N
XLogP0.54
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432236
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide
CID 103508810
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432232
3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432214
3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
CID 106219029
1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423434
3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide
CID 103506198
3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
CID 103425930
3-amino-N-propyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505955
3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile
CID 103432311
3-amino-5-[2-(diethylamino)ethylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103424763
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide (CID 103432235) is 3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide is CCNC(=O)c1sc(NCCS(C)(=O)=O)cc1N.
What is the InChIKey of 3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide?
The InChIKey is JYUJKSVAZQGKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-3-12-10(14)9-7(11)6-8(17-9)13-4-5-18(2,15)16/h6,13H,3-5,11H2,1-2H3,(H,12,14).
What are the key properties of 3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide?
3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103432235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).