6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine

C19H24N4O2S2 — CID 133389938

IUPAC6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine
SMILESO=S(=O)(C1CC1)N1CCC(Nc2cncc(SCc3ccccc3)n2)CC1
InChIInChI=1S/C19H24N4O2S2/c24-27(25,17-6-7-17)23-10-8-16(9-11-23)21-18-12-20-13-19(22-18)26-14-15-4-2-1-3-5-15/h1-5,12-13,16-17H,6-11,14H2,(H,21,22)
InChIKeyGPGYBAZSMSOECJ-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.14
Rot. Bonds7

About 6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine

6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine (PubChem CID 133389938) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine
PubChem CID133389938
Molecular FormulaC19H24N4O2S2
Molecular Weight404.56 g/mol
Exact Mass404.13
IUPAC Name6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine
SMILESO=S(=O)(C1CC1)N1CCC(Nc2cncc(SCc3ccccc3)n2)CC1
InChIInChI=1S/C19H24N4O2S2/c24-27(25,17-6-7-17)23-10-8-16(9-11-23)21-18-12-20-13-19(22-18)26-14-15-4-2-1-3-5-15/h1-5,12-13,16-17H,6-11,14H2,(H,21,22)
InChIKeyGPGYBAZSMSOECJ-UHFFFAOYSA-N
XLogP3.14
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 133389706
6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine
CID 133389133
2-benzylsulfanyl-6-(4-methoxypiperidin-1-yl)pyrazine
CID 133413751
N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide
CID 133389237
N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine
CID 75418663
N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 133306533
N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 133306595
6-benzylsulfanyl-N-[(4-methylsulfanyloxan-4-yl)methyl]pyrazin-2-amine
CID 133389828
N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133306515
1-[(6-benzylsulfanylpyrazin-2-yl)amino]-3,3-dimethylbutan-2-ol
CID 133389684
6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine
CID 75521032
N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine
CID 133306530

Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The IUPAC name of 6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine (CID 133389938) is 6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine.
What is the SMILES notation for 6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The canonical SMILES for 6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine is O=S(=O)(C1CC1)N1CCC(Nc2cncc(SCc3ccccc3)n2)CC1.
What is the InChIKey of 6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The InChIKey is GPGYBAZSMSOECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c24-27(25,17-6-7-17)23-10-8-16(9-11-23)21-18-12-20-13-19(22-18)26-14-15-4-2-1-3-5-15/h1-5,12-13,16-17H,6-11,14H2,(H,21,22).
What are the key properties of 6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine?
6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine has a molecular weight of 404.56 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-N-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 133389938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).