N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide

C14H19N5O2S — CID 163346285

IUPACN-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCN(c2nccnc2C#N)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C14H19N5O2S/c1-18(22(20,21)12-2-3-12)11-4-8-19(9-5-11)14-13(10-15)16-6-7-17-14/h6-7,11-12H,2-5,8-9H2,1H3
InChIKeyPLQXYZZPAZIIKP-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.74
Rot. Bonds4

About N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide

N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide (PubChem CID 163346285) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
PubChem CID163346285
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCN(c2nccnc2C#N)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C14H19N5O2S/c1-18(22(20,21)12-2-3-12)11-4-8-19(9-5-11)14-13(10-15)16-6-7-17-14/h6-7,11-12H,2-5,8-9H2,1H3
InChIKeyPLQXYZZPAZIIKP-UHFFFAOYSA-N
XLogP0.74
TPSA90.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 62684699
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163348279
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133396027
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348934
N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
CID 139023344
3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133284179
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
CID 163346392
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 2822709
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346286
N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163349449

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide (CID 163346285) is N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide is CN(C1CCN(c2nccnc2C#N)CC1)S(=O)(=O)C1CC1.
What is the InChIKey of N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is PLQXYZZPAZIIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-18(22(20,21)12-2-3-12)11-4-8-19(9-5-11)14-13(10-15)16-6-7-17-14/h6-7,11-12H,2-5,8-9H2,1H3.
What are the key properties of N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 321.41 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 163346285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).