N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride

C8H17ClN4O2S — CID 120710548

IUPACN-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)c1ccnn1C.Cl
InChIInChI=1S/C8H16N4O2S.ClH/c1-7(6-9)12(3)15(13,14)8-4-5-10-11(8)2;/h4-5,7H,6,9H2,1-3H3;1H
InChIKeyCWDABQGDOLDLPJ-UHFFFAOYSA-N
MW268.77 g/mol
LogP-0.19
Rot. Bonds4

About N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride (PubChem CID 120710548) has the molecular formula C8H17ClN4O2S and a molecular weight of 268.77 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride
PubChem CID120710548
Molecular FormulaC8H17ClN4O2S
Molecular Weight268.77 g/mol
Exact Mass268.08
IUPAC NameN-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)c1ccnn1C.Cl
InChIInChI=1S/C8H16N4O2S.ClH/c1-7(6-9)12(3)15(13,14)8-4-5-10-11(8)2;/h4-5,7H,6,9H2,1-3H3;1H
InChIKeyCWDABQGDOLDLPJ-UHFFFAOYSA-N
XLogP-0.19
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710142
N-(3-amino-2-methylpropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104709309
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide
CID 114243749
2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709586
2-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,2-diamine
CID 103015452
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
N-(1-aminopropan-2-yl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide
CID 86784633
N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide
CID 104709257
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119982527
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104709300
2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine
CID 104709342

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride (CID 120710548) is N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride is CC(CN)N(C)S(=O)(=O)c1ccnn1C.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride?
The InChIKey is CWDABQGDOLDLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S.ClH/c1-7(6-9)12(3)15(13,14)8-4-5-10-11(8)2;/h4-5,7H,6,9H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride has a molecular weight of 268.77 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120710548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).