2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide

C14H23N3O2S — CID 129001184

IUPAC2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C14H23N3O2S/c1-10(9-20-3)14(18)16-12-5-4-6-19-13(12)11-7-15-17(2)8-11/h7-8,10,12-13H,4-6,9H2,1-3H3,(H,16,18)/t10?,12-,13+/m0/s1
InChIKeyWBWCNDWIWGAYOY-HEVMSJOKSA-N
MW297.42 g/mol
LogP1.76
Rot. Bonds5

About 2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide

2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide (PubChem CID 129001184) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide
PubChem CID129001184
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C14H23N3O2S/c1-10(9-20-3)14(18)16-12-5-4-6-19-13(12)11-7-15-17(2)8-11/h7-8,10,12-13H,4-6,9H2,1-3H3,(H,16,18)/t10?,12-,13+/m0/s1
InChIKeyWBWCNDWIWGAYOY-HEVMSJOKSA-N
XLogP1.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 128997866
3-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]-1-morpholin-4-ylbutan-1-one
CID 129007161
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475288
4,4-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]cyclohexane-1-carboxamide
CID 128993483
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 128997368
3-(2,2-difluoroethoxy)-N-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]propanamide
CID 132388712
3-fluoropropyl N-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]carbamate
CID 136585392
1-Cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole
CID 172592854
N-[(2S*,4R*,6S*)-2-ethyl-6-(1-ethyl-1H-pyrazol-4-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50956018
N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine
CID 71873044
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]thian-4-amine
CID 71929057
(2R,3S)-2-(1-Ethyl-1H-pyrazol-4-yl)tetrahydro-2H-pyran-3-amine dihydrochloride
CID 86811655

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide?
The IUPAC name of 2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide (CID 129001184) is 2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for 2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for 2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide is CSCC(C)C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1.
What is the InChIKey of 2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide?
The InChIKey is WBWCNDWIWGAYOY-HEVMSJOKSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10(9-20-3)14(18)16-12-5-4-6-19-13(12)11-7-15-17(2)8-11/h7-8,10,12-13H,4-6,9H2,1-3H3,(H,16,18)/t10?,12-,13+/m0/s1.
What are the key properties of 2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide?
2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide has a molecular weight of 297.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 129001184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).