3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide

C11H17N3O4S2 — CID 103507182

IUPAC3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide
SMILESCS(=O)(=O)c1c(NCC2CCOC2)sc(C(N)=O)c1N
InChIInChI=1S/C11H17N3O4S2/c1-20(16,17)9-7(12)8(10(13)15)19-11(9)14-4-6-2-3-18-5-6/h6,14H,2-5,12H2,1H3,(H2,13,15)
InChIKeyFHMLWSQXAJRUSS-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.28
Rot. Bonds5

About 3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide

3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide (PubChem CID 103507182) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide
PubChem CID103507182
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide
SMILESCS(=O)(=O)c1c(NCC2CCOC2)sc(C(N)=O)c1N
InChIInChI=1S/C11H17N3O4S2/c1-20(16,17)9-7(12)8(10(13)15)19-11(9)14-4-6-2-3-18-5-6/h6,14H,2-5,12H2,1H3,(H2,13,15)
InChIKeyFHMLWSQXAJRUSS-UHFFFAOYSA-N
XLogP0.28
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-[(3-methylcyclopentyl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 107416234
3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide
CID 103507144
3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103506984
3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103426574
3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103428586
3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506464
ethyl 4-amino-5-carbamoyl-2-(cyclopropylmethylamino)thiophene-3-carboxylate
CID 103424634
3-amino-5-[(4-methylpiperazin-1-yl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103505871
3-amino-4-cyano-5-(oxolan-3-ylmethylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103507187
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
2-methylsulfonyl-N-(oxolan-3-ylmethyl)aniline
CID 43724682

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide (CID 103507182) is 3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide is CS(=O)(=O)c1c(NCC2CCOC2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide?
The InChIKey is FHMLWSQXAJRUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-20(16,17)9-7(12)8(10(13)15)19-11(9)14-4-6-2-3-18-5-6/h6,14H,2-5,12H2,1H3,(H2,13,15).
What are the key properties of 3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide?
3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103507182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).