N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H19N3O3S — CID 115563568

IUPACN-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C11H19N3O3S/c1-8-10(7-12-13-8)18(15,16)14-9-4-5-17-11(2,3)6-9/h7,9,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyYHPDIGJXIQWFBC-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.95
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 115563568) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID115563568
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C11H19N3O3S/c1-8-10(7-12-13-8)18(15,16)14-9-4-5-17-11(2,3)6-9/h7,9,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyYHPDIGJXIQWFBC-UHFFFAOYSA-N
XLogP0.95
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 60910848
5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 61248171
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106075143
N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 113336491
N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930247
5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide
CID 83034968
5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 63361565
N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 115695681
5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
CID 83034972
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
CID 106997091
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide
CID 83040379

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 115563568) is N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is YHPDIGJXIQWFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8-10(7-12-13-8)18(15,16)14-9-4-5-17-11(2,3)6-9/h7,9,14H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115563568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).