N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide

C12H22N4O2S — CID 47027427

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide
SMILESCc1c(C(C)NS(=O)(=O)N2CCCCC2)cnn1C
InChIInChI=1S/C12H22N4O2S/c1-10(12-9-13-15(3)11(12)2)14-19(17,18)16-7-5-4-6-8-16/h9-10,14H,4-8H2,1-3H3
InChIKeyPGROLXVMBWUWRT-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.11
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 47027427) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide
PubChem CID47027427
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide
SMILESCc1c(C(C)NS(=O)(=O)N2CCCCC2)cnn1C
InChIInChI=1S/C12H22N4O2S/c1-10(12-9-13-15(3)11(12)2)14-19(17,18)16-7-5-4-6-8-16/h9-10,14H,4-8H2,1-3H3
InChIKeyPGROLXVMBWUWRT-UHFFFAOYSA-N
XLogP1.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6483877
1-(1,5-Dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 17024833
1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine
CID 70701199
4-(1,4-dimethyl-1H-pyrazol-5-yl)piperidine
CID 82600316
1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)ethanamine
CID 17024698
2-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005858
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine
CID 75387539
4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide
CID 77086335
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine
CID 97244177
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 122556002
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpiperazine-1-sulfonamide
CID 129619592
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 164633518

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide (CID 47027427) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide is Cc1c(C(C)NS(=O)(=O)N2CCCCC2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is PGROLXVMBWUWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(12-9-13-15(3)11(12)2)14-19(17,18)16-7-5-4-6-8-16/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 47027427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).