methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate

C14H19N3O3S — CID 103508521

IUPACmethyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(C2CC2)C2CC2)c(C(N)=O)c1N
InChIInChI=1S/C14H19N3O3S/c1-20-14(19)11-9(15)8(12(16)18)13(21-11)17-10(6-2-3-6)7-4-5-7/h6-7,10,17H,2-5,15H2,1H3,(H2,16,18)
InChIKeyRTHBRGZYONJAAC-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.82
Rot. Bonds6

About methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate

methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate (PubChem CID 103508521) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate
PubChem CID103508521
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Namemethyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(C2CC2)C2CC2)c(C(N)=O)c1N
InChIInChI=1S/C14H19N3O3S/c1-20-14(19)11-9(15)8(12(16)18)13(21-11)17-10(6-2-3-6)7-4-5-7/h6-7,10,17H,2-5,15H2,1H3,(H2,16,18)
InChIKeyRTHBRGZYONJAAC-UHFFFAOYSA-N
XLogP1.82
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate (CID 103508521) is methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate is COC(=O)c1sc(NC(C2CC2)C2CC2)c(C(N)=O)c1N.
What is the InChIKey of methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate?
The InChIKey is RTHBRGZYONJAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-20-14(19)11-9(15)8(12(16)18)13(21-11)17-10(6-2-3-6)7-4-5-7/h6-7,10,17H,2-5,15H2,1H3,(H2,16,18).
What are the key properties of methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate?
methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate has a molecular weight of 309.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate is sourced from PubChem (CID 103508521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).