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

C10H14N4O2S2 — CID 60809444

IUPAC3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H14N4O2S2/c1-13-6-9(10(11)12-13)18(15,16)14(2)5-8-3-4-17-7-8/h3-4,6-7H,5H2,1-2H3,(H2,11,12)
InChIKeyCHHCDVJGAQBELE-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.88
Rot. Bonds4

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

3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 60809444) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID60809444
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC Name3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H14N4O2S2/c1-13-6-9(10(11)12-13)18(15,16)14(2)5-8-3-4-17-7-8/h3-4,6-7H,5H2,1-2H3,(H2,11,12)
InChIKeyCHHCDVJGAQBELE-UHFFFAOYSA-N
XLogP0.88
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (CID 60809444) is 3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is CN(Cc1ccsc1)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is CHHCDVJGAQBELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-13-6-9(10(11)12-13)18(15,16)14(2)5-8-3-4-17-7-8/h3-4,6-7H,5H2,1-2H3,(H2,11,12).
What are the key properties of 3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60809444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).