N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide

C11H17N5O2S — CID 104709882

IUPACN-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC1CCN(CC#N)CC1
InChIInChI=1S/C11H17N5O2S/c1-15-11(2-6-13-15)19(17,18)14-10-3-7-16(8-4-10)9-5-12/h2,6,10,14H,3-4,7-9H2,1H3
InChIKeySCYYRNACBAGSOH-UHFFFAOYSA-N
MW283.36 g/mol
LogP-0.31
Rot. Bonds4

About N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide

N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104709882) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide
PubChem CID104709882
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC1CCN(CC#N)CC1
InChIInChI=1S/C11H17N5O2S/c1-15-11(2-6-13-15)19(17,18)14-10-3-7-16(8-4-10)9-5-12/h2,6,10,14H,3-4,7-9H2,1H3
InChIKeySCYYRNACBAGSOH-UHFFFAOYSA-N
XLogP-0.31
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide (CID 104709882) is N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NC1CCN(CC#N)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is SCYYRNACBAGSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-15-11(2-6-13-15)19(17,18)14-10-3-7-16(8-4-10)9-5-12/h2,6,10,14H,3-4,7-9H2,1H3.
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide?
N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104709882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).