2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide

C8H15N3O2S — CID 130668312

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide
SMILESCc1nn(C)c(C)c1CCS(N)(=O)=O
InChIInChI=1S/C8H15N3O2S/c1-6-8(4-5-14(9,12)13)7(2)11(3)10-6/h4-5H2,1-3H3,(H2,9,12,13)
InChIKeyXCVKXLIMVJDQEF-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.13
Rot. Bonds3

About 2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide

2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide (PubChem CID 130668312) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide
PubChem CID130668312
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide
SMILESCc1nn(C)c(C)c1CCS(N)(=O)=O
InChIInChI=1S/C8H15N3O2S/c1-6-8(4-5-14(9,12)13)7(2)11(3)10-6/h4-5H2,1-3H3,(H2,9,12,13)
InChIKeyXCVKXLIMVJDQEF-UHFFFAOYSA-N
XLogP-0.13
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
CID 167965198
N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 46353456
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 28614875
5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 46353490
4-(2-azidoethyl)-1,3,5-trimethylpyrazole
CID 23005972
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide (CID 130668312) is 2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide is Cc1nn(C)c(C)c1CCS(N)(=O)=O.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide?
The InChIKey is XCVKXLIMVJDQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-6-8(4-5-14(9,12)13)7(2)11(3)10-6/h4-5H2,1-3H3,(H2,9,12,13).
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide?
2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide has a molecular weight of 217.29 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide is sourced from PubChem (CID 130668312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).