[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H22N4O2S — CID 77096881

IUPAC[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCSc1ncc(CN2CCC[C@H]2C(=O)N2CCOCC2)cn1
InChIInChI=1S/C15H22N4O2S/c1-22-15-16-9-12(10-17-15)11-19-4-2-3-13(19)14(20)18-5-7-21-8-6-18/h9-10,13H,2-8,11H2,1H3/t13-/m0/s1
InChIKeyVXNSNUWSEAIDJO-ZDUSSCGKSA-N
MW322.43 g/mol
LogP1.02
Rot. Bonds4

About [(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 77096881) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is [(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID77096881
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCSc1ncc(CN2CCC[C@H]2C(=O)N2CCOCC2)cn1
InChIInChI=1S/C15H22N4O2S/c1-22-15-16-9-12(10-17-15)11-19-4-2-3-13(19)14(20)18-5-7-21-8-6-18/h9-10,13H,2-8,11H2,1H3/t13-/m0/s1
InChIKeyVXNSNUWSEAIDJO-ZDUSSCGKSA-N
XLogP1.02
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 71989099
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
[(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 91832975
morpholin-4-yl-[(2S)-1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]methanone
CID 77081618
(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
[(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95619935
2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
CID 122568102
[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 96540784
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118781643
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone
CID 97181537
[(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 97012580

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 77096881) is [(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is CSc1ncc(CN2CCC[C@H]2C(=O)N2CCOCC2)cn1.
What is the InChIKey of [(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is VXNSNUWSEAIDJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-22-15-16-9-12(10-17-15)11-19-4-2-3-13(19)14(20)18-5-7-21-8-6-18/h9-10,13H,2-8,11H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 322.43 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 77096881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).