3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide

C11H17N3O2S2 — CID 103542403

IUPAC3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCOC1CCN(c2sc(C(N)=O)c(N)c2SC)C1
InChIInChI=1S/C11H17N3O2S2/c1-16-6-3-4-14(5-6)11-9(17-2)7(12)8(18-11)10(13)15/h6H,3-5,12H2,1-2H3,(H2,13,15)
InChIKeyZWLLZSNCIQKTPS-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.38
Rot. Bonds4

About 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103542403) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103542403
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCOC1CCN(c2sc(C(N)=O)c(N)c2SC)C1
InChIInChI=1S/C11H17N3O2S2/c1-16-6-3-4-14(5-6)11-9(17-2)7(12)8(18-11)10(13)15/h6H,3-5,12H2,1-2H3,(H2,13,15)
InChIKeyZWLLZSNCIQKTPS-UHFFFAOYSA-N
XLogP1.38
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103542466
methyl 3-amino-5-(3-methoxypiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103507572
3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103542462
3-amino-5-(4-methoxypiperidin-1-yl)-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103508860
3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103509494
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methylsulfanylthiophene-2-carboxamide
CID 103505433
methyl 3-amino-5-(3,4-dimethylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103507217
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
CID 103507599
3-amino-4-methylsulfanyl-5-(4-propan-2-ylazepan-1-yl)thiophene-2-carboxamide
CID 103422615
3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
CID 103507264
3-amino-5-(3-hydroxypyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103421577
methyl 3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103506728

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide (CID 103542403) is 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide is COC1CCN(c2sc(C(N)=O)c(N)c2SC)C1.
What is the InChIKey of 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is ZWLLZSNCIQKTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-16-6-3-4-14(5-6)11-9(17-2)7(12)8(18-11)10(13)15/h6H,3-5,12H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103542403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).