1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide

C11H18N4O2S — CID 136530385

IUPAC1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide
SMILESCc1cnc(CN2CCCC(S(N)(=O)=O)C2)cn1
InChIInChI=1S/C11H18N4O2S/c1-9-5-14-10(6-13-9)7-15-4-2-3-11(8-15)18(12,16)17/h5-6,11H,2-4,7-8H2,1H3,(H2,12,16,17)
InChIKeyCZSFTGDMNKOHLR-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.04
Rot. Bonds3

About 1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide

1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide (PubChem CID 136530385) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide
PubChem CID136530385
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide
SMILESCc1cnc(CN2CCCC(S(N)(=O)=O)C2)cn1
InChIInChI=1S/C11H18N4O2S/c1-9-5-14-10(6-13-9)7-15-4-2-3-11(8-15)18(12,16)17/h5-6,11H,2-4,7-8H2,1H3,(H2,12,16,17)
InChIKeyCZSFTGDMNKOHLR-UHFFFAOYSA-N
XLogP0.04
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide?
The IUPAC name of 1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide (CID 136530385) is 1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for 1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for 1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide is Cc1cnc(CN2CCCC(S(N)(=O)=O)C2)cn1.
What is the InChIKey of 1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide?
The InChIKey is CZSFTGDMNKOHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9-5-14-10(6-13-9)7-15-4-2-3-11(8-15)18(12,16)17/h5-6,11H,2-4,7-8H2,1H3,(H2,12,16,17).
What are the key properties of 1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide?
1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide has a molecular weight of 270.36 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylpyrazin-2-yl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 136530385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).