5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide

C10H15N3OS — CID 70877783

IUPAC5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCNc1ccc(C(=O)NC2CCNC2)s1
InChIInChI=1S/C10H15N3OS/c1-11-9-3-2-8(15-9)10(14)13-7-4-5-12-6-7/h2-3,7,11-12H,4-6H2,1H3,(H,13,14)
InChIKeyDFBABMRSTKHCLL-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.88
Rot. Bonds3

About 5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide

5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide (PubChem CID 70877783) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide
PubChem CID70877783
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCNc1ccc(C(=O)NC2CCNC2)s1
InChIInChI=1S/C10H15N3OS/c1-11-9-3-2-8(15-9)10(14)13-7-4-5-12-6-7/h2-3,7,11-12H,4-6H2,1H3,(H,13,14)
InChIKeyDFBABMRSTKHCLL-UHFFFAOYSA-N
XLogP0.88
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide (CID 70877783) is 5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide is CNc1ccc(C(=O)NC2CCNC2)s1.
What is the InChIKey of 5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The InChIKey is DFBABMRSTKHCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-11-9-3-2-8(15-9)10(14)13-7-4-5-12-6-7/h2-3,7,11-12H,4-6H2,1H3,(H,13,14).
What are the key properties of 5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide?
5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 70877783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).