(2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide

C16H20N2O2S — CID 120792492

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cc2ccccc2s1
InChIInChI=1S/C16H20N2O2S/c1-10(15-8-11-4-2-3-5-14(11)21-15)18-16(19)13-7-6-12(9-17)20-13/h2-5,8,10,12-13H,6-7,9,17H2,1H3,(H,18,19)/t10?,12-,13+/m1/s1
InChIKeyFQQSMKBFFJYRLL-SOYIIFOFSA-N
MW304.41 g/mol
LogP2.58
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide (PubChem CID 120792492) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide
PubChem CID120792492
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cc2ccccc2s1
InChIInChI=1S/C16H20N2O2S/c1-10(15-8-11-4-2-3-5-14(11)21-15)18-16(19)13-7-6-12(9-17)20-13/h2-5,8,10,12-13H,6-7,9,17H2,1H3,(H,18,19)/t10?,12-,13+/m1/s1
InChIKeyFQQSMKBFFJYRLL-SOYIIFOFSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 120784156
5-(aminomethyl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 81407924
(2S,5S)-5-[[[(1S)-1-(1-benzothiophen-2-yl)ethyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 129429860
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120784065
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 120793696
5-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 81363772
5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide
CID 81410076
(2S,5R)-5-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784096
(2S,5R)-5-(aminomethyl)-N-[1-(4-phenoxyphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120791365
(2S,5R)-5-(aminomethyl)-N-(3-phenylbutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120793755
(2S,5R)-5-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784088
(2S,5R)-5-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]oxolane-2-carboxamide
CID 120799038

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide (CID 120792492) is (2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide is CC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cc2ccccc2s1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is FQQSMKBFFJYRLL-SOYIIFOFSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10(15-8-11-4-2-3-5-14(11)21-15)18-16(19)13-7-6-12(9-17)20-13/h2-5,8,10,12-13H,6-7,9,17H2,1H3,(H,18,19)/t10?,12-,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(1-benzothiophen-2-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120792492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).