N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide

C9H17N3O2S — CID 3813224

IUPACN-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)C(C)C
InChIInChI=1S/C9H17N3O2S/c1-6(2)15(13,14)11-9-7(3)10-12(5)8(9)4/h6,11H,1-5H3
InChIKeyKCXLYLDMLCVTAL-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.19
Rot. Bonds3

About N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide

N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide (PubChem CID 3813224) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide
PubChem CID3813224
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)C(C)C
InChIInChI=1S/C9H17N3O2S/c1-6(2)15(13,14)11-9-7(3)10-12(5)8(9)4/h6,11H,1-5H3
InChIKeyKCXLYLDMLCVTAL-UHFFFAOYSA-N
XLogP1.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide?
The IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide (CID 3813224) is N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)C(C)C.
What is the InChIKey of N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide?
The InChIKey is KCXLYLDMLCVTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-6(2)15(13,14)11-9-7(3)10-12(5)8(9)4/h6,11H,1-5H3.
What are the key properties of N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide?
N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 3813224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).