N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride

C13H27ClN4O2S — CID 119985374

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C13H26N4O2S.ClH/c1-9(2)7-13(5,8-14)16-20(18,19)12-10(3)15-17(6)11(12)4;/h9,16H,7-8,14H2,1-6H3;1H
InChIKeyMCPTZTBHICCFCK-UHFFFAOYSA-N
MW338.91 g/mol
LogP1.50
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 119985374) has the molecular formula C13H27ClN4O2S and a molecular weight of 338.91 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
PubChem CID119985374
Molecular FormulaC13H27ClN4O2S
Molecular Weight338.91 g/mol
Exact Mass338.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C13H26N4O2S.ClH/c1-9(2)7-13(5,8-14)16-20(18,19)12-10(3)15-17(6)11(12)4;/h9,16H,7-8,14H2,1-6H3;1H
InChIKeyMCPTZTBHICCFCK-UHFFFAOYSA-N
XLogP1.50
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.91
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119998499
N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62063301
N-(1-chloro-2-methylbutan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65032716
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119606795
N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62666487
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106141584
2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 76933181
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
1-amino-2,4-dimethyl-2-(sulfamoylamino)pentane
CID 114959433
N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]methanesulfonamide
CID 97237986
N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 109379653
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3-dimethyl-4-nitropyrazole-5-carboxamide;hydrochloride
CID 119598125

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride (CID 119985374) is N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride is Cc1nn(C)c(C)c1S(=O)(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is MCPTZTBHICCFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S.ClH/c1-9(2)7-13(5,8-14)16-20(18,19)12-10(3)15-17(6)11(12)4;/h9,16H,7-8,14H2,1-6H3;1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 338.91 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119985374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).