2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide

C17H24N2O2S — CID 120795350

IUPAC2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCC1SCCc2ccccc21)C1CCOCC1
InChIInChI=1S/C17H24N2O2S/c18-16(13-5-8-21-9-6-13)17(20)19-11-15-14-4-2-1-3-12(14)7-10-22-15/h1-4,13,15-16H,5-11,18H2,(H,19,20)
InChIKeyOBOFBMXUJVDCSV-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.89
Rot. Bonds4

About 2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide

2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide (PubChem CID 120795350) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide
PubChem CID120795350
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCC1SCCc2ccccc21)C1CCOCC1
InChIInChI=1S/C17H24N2O2S/c18-16(13-5-8-21-9-6-13)17(20)19-11-15-14-4-2-1-3-12(14)7-10-22-15/h1-4,13,15-16H,5-11,18H2,(H,19,20)
InChIKeyOBOFBMXUJVDCSV-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide 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

2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide
CID 120799294
2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide
CID 120793542
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
(1R)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 98848038
4-[(3,4-dihydro-1H-isothiochromen-1-ylmethylcarbamoylamino)methyl]benzoic acid
CID 122005228
1-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-3-(3-methylsulfanylpropyl)urea
CID 155944930
2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone
CID 120792528
3-[[(1R)-3,4-dihydro-1H-isothiochromen-1-yl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 97065895
2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120800182
2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120785294

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide (CID 120795350) is 2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide is NC(C(=O)NCC1SCCc2ccccc21)C1CCOCC1.
What is the InChIKey of 2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide?
The InChIKey is OBOFBMXUJVDCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c18-16(13-5-8-21-9-6-13)17(20)19-11-15-14-4-2-1-3-12(14)7-10-22-15/h1-4,13,15-16H,5-11,18H2,(H,19,20).
What are the key properties of 2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide has a molecular weight of 320.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120795350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).