3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide

C10H14N2O2S — CID 61112790

IUPAC3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCC1CCOC1
InChIInChI=1S/C10H14N2O2S/c11-8-2-4-15-9(8)10(13)12-5-7-1-3-14-6-7/h2,4,7H,1,3,5-6,11H2,(H,12,13)
InChIKeyPVORZTLWHFPLPW-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.10
Rot. Bonds3

About 3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide

3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 61112790) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
PubChem CID61112790
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCC1CCOC1
InChIInChI=1S/C10H14N2O2S/c11-8-2-4-15-9(8)10(13)12-5-7-1-3-14-6-7/h2,4,7H,1,3,5-6,11H2,(H,12,13)
InChIKeyPVORZTLWHFPLPW-UHFFFAOYSA-N
XLogP1.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-ethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 61118488
6-amino-N-(oxolan-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103542906
4-amino-N-[[(3R)-oxolan-3-yl]methyl]-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 95186361
3-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 61127532
3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide
CID 107120671
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
2-(2-aminoethyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389079
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243
2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide
CID 167495698
3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
CID 62824048
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
CID 61092677

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide (CID 61112790) is 3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide is Nc1ccsc1C(=O)NCC1CCOC1.
What is the InChIKey of 3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is PVORZTLWHFPLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-8-2-4-15-9(8)10(13)12-5-7-1-3-14-6-7/h2,4,7H,1,3,5-6,11H2,(H,12,13).
What are the key properties of 3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide?
3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61112790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).