3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide

C10H20N4O2S2 — CID 113494400

IUPAC3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C10H20N4O2S2/c1-4-8(7-17-3)13-18(15,16)9-6-14(5-2)12-10(9)11/h6,8,13H,4-5,7H2,1-3H3,(H2,11,12)
InChIKeyUNFHPNOCKYLMEK-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.91
Rot. Bonds7

About 3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide (PubChem CID 113494400) has the molecular formula C10H20N4O2S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
PubChem CID113494400
Molecular FormulaC10H20N4O2S2
Molecular Weight292.43 g/mol
Exact Mass292.10
IUPAC Name3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C10H20N4O2S2/c1-4-8(7-17-3)13-18(15,16)9-6-14(5-2)12-10(9)11/h6,8,13H,4-5,7H2,1-3H3,(H2,11,12)
InChIKeyUNFHPNOCKYLMEK-UHFFFAOYSA-N
XLogP0.91
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide (CID 113494400) is 3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide is CCC(CSC)NS(=O)(=O)c1cn(CC)nc1N.
What is the InChIKey of 3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is UNFHPNOCKYLMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S2/c1-4-8(7-17-3)13-18(15,16)9-6-14(5-2)12-10(9)11/h6,8,13H,4-5,7H2,1-3H3,(H2,11,12).
What are the key properties of 3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 0.91, 7 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-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 113494400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).