3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide

C13H19N3O2S2 — CID 103421659

IUPAC3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N2CCC(O)C2)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C13H19N3O2S2/c1-19-11-9(14)10(12(18)15-7-2-3-7)20-13(11)16-5-4-8(17)6-16/h7-8,17H,2-6,14H2,1H3,(H,15,18)
InChIKeyNNWMIOHNIBYALR-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.52
Rot. Bonds4

About 3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide

3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103421659) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103421659
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N2CCC(O)C2)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C13H19N3O2S2/c1-19-11-9(14)10(12(18)15-7-2-3-7)20-13(11)16-5-4-8(17)6-16/h7-8,17H,2-6,14H2,1H3,(H,15,18)
InChIKeyNNWMIOHNIBYALR-UHFFFAOYSA-N
XLogP1.52
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide (CID 103421659) is 3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide is CSc1c(N2CCC(O)C2)sc(C(=O)NC2CC2)c1N.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is NNWMIOHNIBYALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-19-11-9(14)10(12(18)15-7-2-3-7)20-13(11)16-5-4-8(17)6-16/h7-8,17H,2-6,14H2,1H3,(H,15,18).
What are the key properties of 3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 1.52, 4 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-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103421659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).