(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone

C14H22N4OS — CID 107376996

IUPAC(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2CCSC(C)(C)C2)cn1
InChIInChI=1S/C14H22N4OS/c1-4-5-15-12-9-16-11(8-17-12)13(19)18-6-7-20-14(2,3)10-18/h8-9H,4-7,10H2,1-3H3,(H,15,17)
InChIKeyNAXZVXRDLRTTQU-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.27
Rot. Bonds4

About (2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone

(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone (PubChem CID 107376996) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone
PubChem CID107376996
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2CCSC(C)(C)C2)cn1
InChIInChI=1S/C14H22N4OS/c1-4-5-15-12-9-16-11(8-17-12)13(19)18-6-7-20-14(2,3)10-18/h8-9H,4-7,10H2,1-3H3,(H,15,17)
InChIKeyNAXZVXRDLRTTQU-UHFFFAOYSA-N
XLogP2.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377330
1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375381
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377097
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376688
(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375356
(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376681
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375498
[3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377022
(5-bromo-3-pyridinyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 115683389

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
The IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone (CID 107376996) is (2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone is CCCNc1cnc(C(=O)N2CCSC(C)(C)C2)cn1.
What is the InChIKey of (2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
The InChIKey is NAXZVXRDLRTTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-5-15-12-9-16-11(8-17-12)13(19)18-6-7-20-14(2,3)10-18/h8-9H,4-7,10H2,1-3H3,(H,15,17).
What are the key properties of (2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone has a molecular weight of 294.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107376996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).