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

C10H20N4O2S — CID 107158984

IUPACN-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)(C)CC(N)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H20N4O2S/c1-10(2,3)6-8(11)7-13-17(15,16)9-4-5-12-14-9/h4-5,8,13H,6-7,11H2,1-3H3,(H,12,14)
InChIKeyVLRMKVCPJXFIPA-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.45
Rot. Bonds5

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

N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide (PubChem CID 107158984) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide
PubChem CID107158984
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)(C)CC(N)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H20N4O2S/c1-10(2,3)6-8(11)7-13-17(15,16)9-4-5-12-14-9/h4-5,8,13H,6-7,11H2,1-3H3,(H,12,14)
InChIKeyVLRMKVCPJXFIPA-UHFFFAOYSA-N
XLogP0.45
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide
CID 102694126
N-(2-hydroxypentyl)-1H-pyrazole-5-sulfonamide
CID 102693400
N-(3-ethyl-2-hydroxypentyl)-1H-pyrazole-5-sulfonamide
CID 114168833
N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107159005
N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide
CID 107158974
N-(1-amino-2-methylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102690411
N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide
CID 102693887
4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
CID 102690942
N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide
CID 102691239
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide (CID 107158984) is N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide is CC(C)(C)CC(N)CNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is VLRMKVCPJXFIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-10(2,3)6-8(11)7-13-17(15,16)9-4-5-12-14-9/h4-5,8,13H,6-7,11H2,1-3H3,(H,12,14).
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide?
N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107158984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).