1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide

C12H22N4O2S — CID 47034943

IUPAC1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCC1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C12H22N4O2S/c1-11-3-6-16(7-4-11)8-5-14-19(17,18)12-9-13-15(2)10-12/h9-11,14H,3-8H2,1-2H3
InChIKeySEUNGSDMMFAALY-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.43
Rot. Bonds5

About 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide

1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 47034943) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID47034943
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCC1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C12H22N4O2S/c1-11-3-6-16(7-4-11)8-5-14-19(17,18)12-9-13-15(2)10-12/h9-11,14H,3-8H2,1-2H3
InChIKeySEUNGSDMMFAALY-UHFFFAOYSA-N
XLogP0.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 94025310
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 119042108
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
N-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 127377679
1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide
CID 114794170
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 113285935
3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 17461365
4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 103697368
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide (CID 47034943) is 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide is CC1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is SEUNGSDMMFAALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-11-3-6-16(7-4-11)8-5-14-19(17,18)12-9-13-15(2)10-12/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide?
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 47034943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).