3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide

C12H17N3OS — CID 103418986

IUPAC3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
SMILESNc1cc(N2CCCC2)sc1C(=O)NC1CC1
InChIInChI=1S/C12H17N3OS/c13-9-7-10(15-5-1-2-6-15)17-11(9)12(16)14-8-3-4-8/h7-8H,1-6,13H2,(H,14,16)
InChIKeyULZJXDDSECNJNT-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.82
Rot. Bonds3

About 3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide

3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide (PubChem CID 103418986) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
PubChem CID103418986
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
SMILESNc1cc(N2CCCC2)sc1C(=O)NC1CC1
InChIInChI=1S/C12H17N3OS/c13-9-7-10(15-5-1-2-6-15)17-11(9)12(16)14-8-3-4-8/h7-8H,1-6,13H2,(H,14,16)
InChIKeyULZJXDDSECNJNT-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide (CID 103418986) is 3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide is Nc1cc(N2CCCC2)sc1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide?
The InChIKey is ULZJXDDSECNJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-9-7-10(15-5-1-2-6-15)17-11(9)12(16)14-8-3-4-8/h7-8H,1-6,13H2,(H,14,16).
What are the key properties of 3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide?
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 103418986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).