(2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide

C17H19N3OS — CID 95316704

IUPAC(2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide
SMILESC[C@H](S[C@@H]1CCCc2ccccc21)C(=O)Nc1ncccn1
InChIInChI=1S/C17H19N3OS/c1-12(16(21)20-17-18-10-5-11-19-17)22-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15H,4,7,9H2,1H3,(H,18,19,20,21)/t12-,15+/m0/s1
InChIKeyMGWUAZSJQBZICI-SWLSCSKDSA-N
MW313.43 g/mol
LogP3.61
Rot. Bonds4

About (2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide

(2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide (PubChem CID 95316704) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide
PubChem CID95316704
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide
SMILESC[C@H](S[C@@H]1CCCc2ccccc21)C(=O)Nc1ncccn1
InChIInChI=1S/C17H19N3OS/c1-12(16(21)20-17-18-10-5-11-19-17)22-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15H,4,7,9H2,1H3,(H,18,19,20,21)/t12-,15+/m0/s1
InChIKeyMGWUAZSJQBZICI-SWLSCSKDSA-N
XLogP3.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 95234706
(2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one
CID 52505275
N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
CID 95327311
(2S)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 25345475
(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 41351884
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785079
2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95329588
2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 95336103
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765372
N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95616906
(2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide (CID 95316704) is (2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide is C[C@H](S[C@@H]1CCCc2ccccc21)C(=O)Nc1ncccn1.
What is the InChIKey of (2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide?
The InChIKey is MGWUAZSJQBZICI-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12(16(21)20-17-18-10-5-11-19-17)22-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15H,4,7,9H2,1H3,(H,18,19,20,21)/t12-,15+/m0/s1.
What are the key properties of (2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide?
(2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide has a molecular weight of 313.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide is sourced from PubChem (CID 95316704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).