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

C11H16N4O2S2 — CID 60809601

IUPAC3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)Cc2ccsc2)c(N)n1
InChIInChI=1S/C11H16N4O2S2/c1-3-15-7-10(11(12)13-15)19(16,17)14(2)6-9-4-5-18-8-9/h4-5,7-8H,3,6H2,1-2H3,(H2,12,13)
InChIKeyMYZBQAKEXUOFJB-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.37
Rot. Bonds5

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

3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 60809601) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID60809601
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)Cc2ccsc2)c(N)n1
InChIInChI=1S/C11H16N4O2S2/c1-3-15-7-10(11(12)13-15)19(16,17)14(2)6-9-4-5-18-8-9/h4-5,7-8H,3,6H2,1-2H3,(H2,12,13)
InChIKeyMYZBQAKEXUOFJB-UHFFFAOYSA-N
XLogP1.37
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (CID 60809601) is 3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(C)Cc2ccsc2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is MYZBQAKEXUOFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-3-15-7-10(11(12)13-15)19(16,17)14(2)6-9-4-5-18-8-9/h4-5,7-8H,3,6H2,1-2H3,(H2,12,13).
What are the key properties of 3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60809601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).