N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H21N3O2S — CID 60959234

IUPACN-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C11H21N3O2S/c1-8-10(7-12-13-8)17(15,16)14(6)9(2)11(3,4)5/h7,9H,1-6H3,(H,12,13)
InChIKeyVOOKCJDVXFSUFA-UHFFFAOYSA-N
MW259.38 g/mol
LogP1.77
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 60959234) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID60959234
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C11H21N3O2S/c1-8-10(7-12-13-8)17(15,16)14(6)9(2)11(3,4)5/h7,9H,1-6H3,(H,12,13)
InChIKeyVOOKCJDVXFSUFA-UHFFFAOYSA-N
XLogP1.77
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60959000
2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid
CID 55123980
N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 112551419
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 54901433
N-cyclopentyl-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60912365
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
CID 60911348
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60910712
N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 54944620
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 62009033
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60959940
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 60959234) is N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is VOOKCJDVXFSUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-8-10(7-12-13-8)17(15,16)14(6)9(2)11(3,4)5/h7,9H,1-6H3,(H,12,13).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 259.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).