N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide

C13H24N4O2S — CID 94025310

IUPACN-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
SMILESC[C@@H]1C[C@H](C)CN(CCNS(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C13H24N4O2S/c1-11-6-12(2)9-17(8-11)5-4-15-20(18,19)13-7-14-16(3)10-13/h7,10-12,15H,4-6,8-9H2,1-3H3/t11-,12+
InChIKeyCVRZDUOSQVUEBU-TXEJJXNPSA-N
MW300.43 g/mol
LogP0.68
Rot. Bonds5

About N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 94025310) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID94025310
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
SMILESC[C@@H]1C[C@H](C)CN(CCNS(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C13H24N4O2S/c1-11-6-12(2)9-17(8-11)5-4-15-20(18,19)13-7-14-16(3)10-13/h7,10-12,15H,4-6,8-9H2,1-3H3/t11-,12+
InChIKeyCVRZDUOSQVUEBU-TXEJJXNPSA-N
XLogP0.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 47034943
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 113285935
N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
CID 107322883
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199
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
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide (CID 94025310) is N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide is C[C@@H]1C[C@H](C)CN(CCNS(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is CVRZDUOSQVUEBU-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11-6-12(2)9-17(8-11)5-4-15-20(18,19)13-7-14-16(3)10-13/h7,10-12,15H,4-6,8-9H2,1-3H3/t11-,12+.
What are the key properties of N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 94025310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).