3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide

C10H14N2O2S — CID 63294681

IUPAC3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCC(O)C1CC1
InChIInChI=1S/C10H14N2O2S/c11-7-3-4-15-9(7)10(14)12-5-8(13)6-1-2-6/h3-4,6,8,13H,1-2,5,11H2,(H,12,14)
InChIKeyHSLPRRXZCSWLBR-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.83
Rot. Bonds4

About 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide

3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide (PubChem CID 63294681) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide
PubChem CID63294681
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCC(O)C1CC1
InChIInChI=1S/C10H14N2O2S/c11-7-3-4-15-9(7)10(14)12-5-8(13)6-1-2-6/h3-4,6,8,13H,1-2,5,11H2,(H,12,14)
InChIKeyHSLPRRXZCSWLBR-UHFFFAOYSA-N
XLogP0.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide (CID 63294681) is 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide is Nc1ccsc1C(=O)NCC(O)C1CC1.
What is the InChIKey of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide?
The InChIKey is HSLPRRXZCSWLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-7-3-4-15-9(7)10(14)12-5-8(13)6-1-2-6/h3-4,6,8,13H,1-2,5,11H2,(H,12,14).
What are the key properties of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide?
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63294681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).