N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C12H24N4O2S — CID 106141584

IUPACN-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(C)(C)CCN
InChIInChI=1S/C12H24N4O2S/c1-9-11(10(2)16(5)15-9)19(17,18)14-8-12(3,4)6-7-13/h14H,6-8,13H2,1-5H3
InChIKeyKNKOSIFGFYCXPM-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.69
Rot. Bonds6

About N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 106141584) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID106141584
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(C)(C)CCN
InChIInChI=1S/C12H24N4O2S/c1-9-11(10(2)16(5)15-9)19(17,18)14-8-12(3,4)6-7-13/h14H,6-8,13H2,1-5H3
InChIKeyKNKOSIFGFYCXPM-UHFFFAOYSA-N
XLogP0.69
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62666487
N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 109379653
N-[(2R)-2-hydroxy-2-phenylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97065266
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106079977
N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62063301
1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 55100929
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62653855
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114148855
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 119985374

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 106141584) is N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(C)(C)CCN.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is KNKOSIFGFYCXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-9-11(10(2)16(5)15-9)19(17,18)14-8-12(3,4)6-7-13/h14H,6-8,13H2,1-5H3.
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 106141584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).