N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride

C11H19ClN2O2S2 — CID 120711544

IUPACN-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride
SMILESCSc1ccccc1S(=O)(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C11H18N2O2S2.ClH/c1-11(2,12)8-13-17(14,15)10-7-5-4-6-9(10)16-3;/h4-7,13H,8,12H2,1-3H3;1H
InChIKeyHQGIFJDKQMMKNL-UHFFFAOYSA-N
MW310.87 g/mol
LogP1.85
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride (PubChem CID 120711544) has the molecular formula C11H19ClN2O2S2 and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride
PubChem CID120711544
Molecular FormulaC11H19ClN2O2S2
Molecular Weight310.87 g/mol
Exact Mass310.06
IUPAC NameN-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride
SMILESCSc1ccccc1S(=O)(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C11H18N2O2S2.ClH/c1-11(2,12)8-13-17(14,15)10-7-5-4-6-9(10)16-3;/h4-7,13H,8,12H2,1-3H3;1H
InChIKeyHQGIFJDKQMMKNL-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711490
N-(3-aminobutyl)-2-methylsulfanylbenzenesulfonamide
CID 120708577
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide
CID 120708847
N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide
CID 120713278
N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120717757
N-(2-amino-2-methylpropyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119987957
N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119988009
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711865
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide
CID 86817582

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride (CID 120711544) is N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride is CSc1ccccc1S(=O)(=O)NCC(C)(C)N.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride?
The InChIKey is HQGIFJDKQMMKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2.ClH/c1-11(2,12)8-13-17(14,15)10-7-5-4-6-9(10)16-3;/h4-7,13H,8,12H2,1-3H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120711544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).