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

C11H17N3O3S2 — CID 103432236

IUPAC3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
SMILESCS(=O)(=O)CCNc1cc(N)c(C(=O)NC2CC2)s1
InChIInChI=1S/C11H17N3O3S2/c1-19(16,17)5-4-13-9-6-8(12)10(18-9)11(15)14-7-2-3-7/h6-7,13H,2-5,12H2,1H3,(H,14,15)
InChIKeyRJDPNJZBAOUDDX-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.68
Rot. Bonds6

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

3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide (PubChem CID 103432236) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
PubChem CID103432236
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
SMILESCS(=O)(=O)CCNc1cc(N)c(C(=O)NC2CC2)s1
InChIInChI=1S/C11H17N3O3S2/c1-19(16,17)5-4-13-9-6-8(12)10(18-9)11(15)14-7-2-3-7/h6-7,13H,2-5,12H2,1H3,(H,14,15)
InChIKeyRJDPNJZBAOUDDX-UHFFFAOYSA-N
XLogP0.68
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432235
3-amino-N-cyclopropyl-5-(methylamino)thiophene-2-carboxamide
CID 103424255
3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide
CID 106199168
3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide
CID 106017402
3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296562
3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427442
3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile
CID 103432311
1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone
CID 114098802
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423434
1-[3-amino-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425678
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-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide (CID 103432236) is 3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide is CS(=O)(=O)CCNc1cc(N)c(C(=O)NC2CC2)s1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide?
The InChIKey is RJDPNJZBAOUDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-19(16,17)5-4-13-9-6-8(12)10(18-9)11(15)14-7-2-3-7/h6-7,13H,2-5,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide?
3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103432236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).