N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide

C17H24N2O2S — CID 129378849

IUPACN-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide
SMILESCN(CC(=O)NC[C@@H]1CCOc2ccccc21)[C@H]1CCSC1
InChIInChI=1S/C17H24N2O2S/c1-19(14-7-9-22-12-14)11-17(20)18-10-13-6-8-21-16-5-3-2-4-15(13)16/h2-5,13-14H,6-12H2,1H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyYTCKKLZVFPMMKY-KBPBESRZSA-N
MW320.46 g/mol
LogP2.11
Rot. Bonds5

About N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide

N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide (PubChem CID 129378849) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide
PubChem CID129378849
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide
SMILESCN(CC(=O)NC[C@@H]1CCOc2ccccc21)[C@H]1CCSC1
InChIInChI=1S/C17H24N2O2S/c1-19(14-7-9-22-12-14)11-17(20)18-10-13-6-8-21-16-5-3-2-4-15(13)16/h2-5,13-14H,6-12H2,1H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyYTCKKLZVFPMMKY-KBPBESRZSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide with MolForge

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-(thian-4-ylmethyl)acetamide
CID 97214483
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide
CID 120590979
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950922
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone
CID 113451283
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484603
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide?
The IUPAC name of N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide (CID 129378849) is N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide.
What is the SMILES notation for N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide?
The canonical SMILES for N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide is CN(CC(=O)NC[C@@H]1CCOc2ccccc21)[C@H]1CCSC1.
What is the InChIKey of N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide?
The InChIKey is YTCKKLZVFPMMKY-KBPBESRZSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-19(14-7-9-22-12-14)11-17(20)18-10-13-6-8-21-16-5-3-2-4-15(13)16/h2-5,13-14H,6-12H2,1H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide?
N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide has a molecular weight of 320.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide is sourced from PubChem (CID 129378849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).