N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C12H24N4O2S — CID 106141679

IUPACN-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(C)(C)CCCN
InChIInChI=1S/C12H24N4O2S/c1-9-11(10(2)16-15-9)19(17,18)14-8-12(3,4)6-5-7-13/h14H,5-8,13H2,1-4H3,(H,15,16)
InChIKeyOQEKHPQDCNWVCX-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.07
Rot. Bonds7

About N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 106141679) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID106141679
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(C)(C)CCCN
InChIInChI=1S/C12H24N4O2S/c1-9-11(10(2)16-15-9)19(17,18)14-8-12(3,4)6-5-7-13/h14H,5-8,13H2,1-4H3,(H,15,16)
InChIKeyOQEKHPQDCNWVCX-UHFFFAOYSA-N
XLogP1.07
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427468
N-[2-ethyl-2-(hydroxymethyl)butyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914972
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-(5-amino-2,2-dimethylpentyl)methanesulfonamide
CID 106141702
N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107159005
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106141584
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113313701
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107451513
N-(1-chloro-2-methylpropan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033115

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 106141679) is N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC(C)(C)CCCN.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is OQEKHPQDCNWVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-9-11(10(2)16-15-9)19(17,18)14-8-12(3,4)6-5-7-13/h14H,5-8,13H2,1-4H3,(H,15,16).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106141679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).