1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

C17H20N4OS — CID 133413644

IUPAC1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cncc(SCc3ccccc3)n2)C1
InChIInChI=1S/C17H20N4OS/c18-17(22)14-7-4-8-21(11-14)15-9-19-10-16(20-15)23-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,14H,4,7-8,11-12H2,(H2,18,22)
InChIKeyRSFWHHABJYQCRV-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.47
Rot. Bonds5

About 1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 133413644) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
PubChem CID133413644
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cncc(SCc3ccccc3)n2)C1
InChIInChI=1S/C17H20N4OS/c18-17(22)14-7-4-8-21(11-14)15-9-19-10-16(20-15)23-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,14H,4,7-8,11-12H2,(H2,18,22)
InChIKeyRSFWHHABJYQCRV-UHFFFAOYSA-N
XLogP2.47
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-6-(4-methoxypiperidin-1-yl)pyrazine
CID 133413751
2-benzylsulfanyl-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133413581
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
N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide
CID 133389237
4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479425
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]benzonitrile
CID 133389483
4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133389470
(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide
CID 95768737
4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133389617
N-methyl-1-(6-phenylmethoxypyrazin-2-yl)piperidine-3-carboxamide
CID 154750088
2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine
CID 133389717

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide (CID 133413644) is 1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2cncc(SCc3ccccc3)n2)C1.
What is the InChIKey of 1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is RSFWHHABJYQCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c18-17(22)14-7-4-8-21(11-14)15-9-19-10-16(20-15)23-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,14H,4,7-8,11-12H2,(H2,18,22).
What are the key properties of 1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 133413644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).