N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide

C8H13N3O2S2 — CID 59820668

IUPACN-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide
SMILESCN(c1c2c(nn1C)CSC2)S(C)(=O)=O
InChIInChI=1S/C8H13N3O2S2/c1-10-8(11(2)15(3,12)13)6-4-14-5-7(6)9-10/h4-5H2,1-3H3
InChIKeyYWVFBYSLMGDZLD-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.56
Rot. Bonds2

About N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide

N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide (PubChem CID 59820668) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide
PubChem CID59820668
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC NameN-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide
SMILESCN(c1c2c(nn1C)CSC2)S(C)(=O)=O
InChIInChI=1S/C8H13N3O2S2/c1-10-8(11(2)15(3,12)13)6-4-14-5-7(6)9-10/h4-5H2,1-3H3
InChIKeyYWVFBYSLMGDZLD-UHFFFAOYSA-N
XLogP0.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide?
The IUPAC name of N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide (CID 59820668) is N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide is CN(c1c2c(nn1C)CSC2)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide?
The InChIKey is YWVFBYSLMGDZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-10-8(11(2)15(3,12)13)6-4-14-5-7(6)9-10/h4-5H2,1-3H3.
What are the key properties of N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide?
N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide has a molecular weight of 247.34 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 59820668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).