(2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one

C17H23NO2S — CID 52505275

IUPAC(2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one
SMILESC[C@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCOCC1
InChIInChI=1S/C17H23NO2S/c1-13(17(19)18-9-11-20-12-10-18)21-16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,13,16H,4,6,8-12H2,1H3/t13-,16+/m0/s1
InChIKeyBTAWAEHNBFWQON-XJKSGUPXSA-N
MW305.44 g/mol
LogP3.04
Rot. Bonds3

About (2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one

(2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one (PubChem CID 52505275) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one
PubChem CID52505275
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name(2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one
SMILESC[C@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCOCC1
InChIInChI=1S/C17H23NO2S/c1-13(17(19)18-9-11-20-12-10-18)21-16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,13,16H,4,6,8-12H2,1H3/t13-,16+/m0/s1
InChIKeyBTAWAEHNBFWQON-XJKSGUPXSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one 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

1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 95234706
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
(2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide
CID 95316704
2-(2,3-dihydro-1H-inden-1-ylamino)-1-morpholin-4-ylethanone
CID 43411223
2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 71326492
3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
CID 64592075
N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide
CID 71981072
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
3-methyl-2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 114282258
(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone
CID 3714114
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43411283
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one (CID 52505275) is (2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one is C[C@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one?
The InChIKey is BTAWAEHNBFWQON-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-13(17(19)18-9-11-20-12-10-18)21-16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,13,16H,4,6,8-12H2,1H3/t13-,16+/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one?
(2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one has a molecular weight of 305.44 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one is sourced from PubChem (CID 52505275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).