N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride

C13H23ClN2O2S — CID 119991411

IUPACN-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccccc1S(=O)(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-11-7-5-6-8-12(11)18(16,17)15(4)10-13(2,3)9-14;/h5-8H,9-10,14H2,1-4H3;1H
InChIKeyHBAQAKBWRYPOFR-UHFFFAOYSA-N
MW306.86 g/mol
LogP2.02
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119991411) has the molecular formula C13H23ClN2O2S and a molecular weight of 306.86 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119991411
Molecular FormulaC13H23ClN2O2S
Molecular Weight306.86 g/mol
Exact Mass306.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccccc1S(=O)(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-11-7-5-6-8-12(11)18(16,17)15(4)10-13(2,3)9-14;/h5-8H,9-10,14H2,1-4H3;1H
InChIKeyHBAQAKBWRYPOFR-UHFFFAOYSA-N
XLogP2.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
CID 79652331
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 79652711
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
N-(3-amino-2,2-dimethylpropyl)-3-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 120712222
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-4-nitrobenzenesulfonamide
CID 79646526
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332
N-(3-amino-2,2-dimethylpropyl)-N-methylthiophene-2-sulfonamide;hydrochloride
CID 119991511
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,3,5-trimethylbenzenesulfonamide;hydrochloride
CID 119991563
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride
CID 119991474
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride (CID 119991411) is N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride is Cc1ccccc1S(=O)(=O)N(C)CC(C)(C)CN.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is HBAQAKBWRYPOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S.ClH/c1-11-7-5-6-8-12(11)18(16,17)15(4)10-13(2,3)9-14;/h5-8H,9-10,14H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119991411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).