(2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide

C13H19N3O2S — CID 124839889

IUPAC(2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncccn1)C(=O)N[C@@H](C)[C@H]1CCCO1
InChIInChI=1S/C13H19N3O2S/c1-9(11-5-3-8-18-11)16-12(17)10(2)19-13-14-6-4-7-15-13/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,16,17)/t9-,10-,11+/m0/s1
InChIKeyPWAWEPUAUJRHTC-GARJFASQSA-N
MW281.38 g/mol
LogP1.64
Rot. Bonds5

About (2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide

(2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide (PubChem CID 124839889) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide
PubChem CID124839889
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name(2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncccn1)C(=O)N[C@@H](C)[C@H]1CCCO1
InChIInChI=1S/C13H19N3O2S/c1-9(11-5-3-8-18-11)16-12(17)10(2)19-13-14-6-4-7-15-13/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,16,17)/t9-,10-,11+/m0/s1
InChIKeyPWAWEPUAUJRHTC-GARJFASQSA-N
XLogP1.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea
CID 94120386
2-amino-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 94029201
2-ethoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyridine-3-carboxamide
CID 35250402
2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide
CID 62878936
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 94028744
1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95568571
1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95568574
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 94029250
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide (CID 124839889) is (2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide is C[C@H](Sc1ncccn1)C(=O)N[C@@H](C)[C@H]1CCCO1.
What is the InChIKey of (2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide?
The InChIKey is PWAWEPUAUJRHTC-GARJFASQSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(11-5-3-8-18-11)16-12(17)10(2)19-13-14-6-4-7-15-13/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,16,17)/t9-,10-,11+/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide?
(2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide has a molecular weight of 281.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide is sourced from PubChem (CID 124839889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).