3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide

C13H18N2O2S — CID 64892170

IUPAC3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCc2cc3c(s2)CCC3)CCOC1
InChIInChI=1S/C13H18N2O2S/c14-13(4-5-17-8-13)12(16)15-7-10-6-9-2-1-3-11(9)18-10/h6H,1-5,7-8,14H2,(H,15,16)
InChIKeyMCFZUGMWLWJRAG-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.97
Rot. Bonds3

About 3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide

3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide (PubChem CID 64892170) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide
PubChem CID64892170
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCc2cc3c(s2)CCC3)CCOC1
InChIInChI=1S/C13H18N2O2S/c14-13(4-5-17-8-13)12(16)15-7-10-6-9-2-1-3-11(9)18-10/h6H,1-5,7-8,14H2,(H,15,16)
InChIKeyMCFZUGMWLWJRAG-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)oxolane-3-carboxamide
CID 64893407
(2S)-2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylpentanamide
CID 61208957
4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61208774
3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-carboxamide
CID 64891597
4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide
CID 103155467
4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 82812054
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61207570
2-[2-(aminomethyl)phenyl]-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)acetamide
CID 81312193
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61208365
methyl (E)-3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)prop-2-enoate
CID 103242950
3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 62728528

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide (CID 64892170) is 3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide is NC1(C(=O)NCc2cc3c(s2)CCC3)CCOC1.
What is the InChIKey of 3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide?
The InChIKey is MCFZUGMWLWJRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c14-13(4-5-17-8-13)12(16)15-7-10-6-9-2-1-3-11(9)18-10/h6H,1-5,7-8,14H2,(H,15,16).
What are the key properties of 3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide?
3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).