3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide

C10H14N4O2S2 — CID 55176036

IUPAC3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccsc2)c(N)n1
InChIInChI=1S/C10H14N4O2S2/c1-2-14-6-9(10(11)13-14)18(15,16)12-5-8-3-4-17-7-8/h3-4,6-7,12H,2,5H2,1H3,(H2,11,13)
InChIKeyMMFFRMABUSLXDS-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.03
Rot. Bonds5

About 3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 55176036) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID55176036
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC Name3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccsc2)c(N)n1
InChIInChI=1S/C10H14N4O2S2/c1-2-14-6-9(10(11)13-14)18(15,16)12-5-8-3-4-17-7-8/h3-4,6-7,12H,2,5H2,1H3,(H2,11,13)
InChIKeyMMFFRMABUSLXDS-UHFFFAOYSA-N
XLogP1.03
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 71806694
N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 73167968
N-(4-Cyano-2-ethylpyrazol-3-YL)thiophene-2-sulfonamide
CID 91650693
1-methyl-N-propyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 72717936
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 121588705
N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 125139499
N-[(1S)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 125139500
N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide
CID 154864525
N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide
CID 71853050
1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazol-3-amine
CID 19626704
(1-Methylpyrazol-3-yl)(2-thienylsulfonyl)amine
CID 17378925
1-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine
CID 19626808

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (CID 55176036) is 3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2ccsc2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is MMFFRMABUSLXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-2-14-6-9(10(11)13-14)18(15,16)12-5-8-3-4-17-7-8/h3-4,6-7,12H,2,5H2,1H3,(H2,11,13).
What are the key properties of 3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 55176036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).