4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide

C19H25N3OS2 — CID 133479425

IUPAC4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2cncc(SCc3ccccc3)n2)CCS1=O
InChIInChI=1S/C19H25N3OS2/c1-3-19(4-2)15-22(10-11-25(19)23)17-12-20-13-18(21-17)24-14-16-8-6-5-7-9-16/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3
InChIKeyNKXNCOXWRANLDW-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.90
Rot. Bonds6

About 4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide

4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide (PubChem CID 133479425) has the molecular formula C19H25N3OS2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
PubChem CID133479425
Molecular FormulaC19H25N3OS2
Molecular Weight375.56 g/mol
Exact Mass375.14
IUPAC Name4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2cncc(SCc3ccccc3)n2)CCS1=O
InChIInChI=1S/C19H25N3OS2/c1-3-19(4-2)15-22(10-11-25(19)23)17-12-20-13-18(21-17)24-14-16-8-6-5-7-9-16/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3
InChIKeyNKXNCOXWRANLDW-UHFFFAOYSA-N
XLogP3.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133413581
7-(6-benzylsulfanylpyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133389951
2-benzylsulfanyl-6-(4-methoxypiperidin-1-yl)pyrazine
CID 133413751
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]benzonitrile
CID 133389483
5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133389858
1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 133413644
1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 133390013
1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one
CID 133390053
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole
CID 133389821
5-(6-benzylsulfanylpyrazin-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 133389632
2-benzylsulfanyl-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrazine
CID 133390082
[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 133389485

Frequently Asked Questions

What is the IUPAC name of 4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide (CID 133479425) is 4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide is CCC1(CC)CN(c2cncc(SCc3ccccc3)n2)CCS1=O.
What is the InChIKey of 4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The InChIKey is NKXNCOXWRANLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS2/c1-3-19(4-2)15-22(10-11-25(19)23)17-12-20-13-18(21-17)24-14-16-8-6-5-7-9-16/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3.
What are the key properties of 4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide has a molecular weight of 375.56 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 133479425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).