N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide

C12H22N4O2S — CID 138044775

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide
SMILESCc1c(CN(C)S(=O)(=O)N2CCCCC2)cnn1C
InChIInChI=1S/C12H22N4O2S/c1-11-12(9-13-15(11)3)10-14(2)19(17,18)16-7-5-4-6-8-16/h9H,4-8,10H2,1-3H3
InChIKeyICCYEHLKDWWCDH-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.89
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide (PubChem CID 138044775) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide
PubChem CID138044775
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide
SMILESCc1c(CN(C)S(=O)(=O)N2CCCCC2)cnn1C
InChIInChI=1S/C12H22N4O2S/c1-11-12(9-13-15(11)3)10-14(2)19(17,18)16-7-5-4-6-8-16/h9H,4-8,10H2,1-3H3
InChIKeyICCYEHLKDWWCDH-UHFFFAOYSA-N
XLogP0.89
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide (CID 138044775) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide is Cc1c(CN(C)S(=O)(=O)N2CCCCC2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide?
The InChIKey is ICCYEHLKDWWCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-11-12(9-13-15(11)3)10-14(2)19(17,18)16-7-5-4-6-8-16/h9H,4-8,10H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 138044775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).