(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

C15H22N4O2S — CID 33482061

IUPAC(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCOCC1
InChIInChI=1S/C15H22N4O2S/c1-10(14(20)18-6-8-21-9-7-18)22-15-17-16-13(11-2-3-11)19(15)12-4-5-12/h10-12H,2-9H2,1H3/t10-/m0/s1
InChIKeyCRBLLUFXHMHXJZ-JTQLQIEISA-N
MW322.43 g/mol
LogP1.83
Rot. Bonds5

About (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 33482061) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
PubChem CID33482061
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCOCC1
InChIInChI=1S/C15H22N4O2S/c1-10(14(20)18-6-8-21-9-7-18)22-15-17-16-13(11-2-3-11)19(15)12-4-5-12/h10-12H,2-9H2,1H3/t10-/m0/s1
InChIKeyCRBLLUFXHMHXJZ-JTQLQIEISA-N
XLogP1.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

(3R)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
CID 51675581
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 17426824
2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 16507042
(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide
CID 40722490
(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpropanamide
CID 40721404
(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one
CID 9319741
(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 40791078
(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9026503
(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 9026384
1-(3-chlorophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 17403291
(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 9026050
(2R)-N-(3,5-dichlorophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7665028

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (CID 33482061) is (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is CRBLLUFXHMHXJZ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-10(14(20)18-6-8-21-9-7-18)22-15-17-16-13(11-2-3-11)19(15)12-4-5-12/h10-12H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 322.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 33482061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).