N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide

C15H26N2O2S — CID 4790001

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(C)(C)CN(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-12-7-8-13(2)14(9-12)20(18,19)16-10-15(3,4)11-17(5)6/h7-9,16H,10-11H2,1-6H3
InChIKeyOWRGIWDBECGWSX-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.17
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 4790001) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide
PubChem CID4790001
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(C)(C)CN(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-12-7-8-13(2)14(9-12)20(18,19)16-10-15(3,4)11-17(5)6/h7-9,16H,10-11H2,1-6H3
InChIKeyOWRGIWDBECGWSX-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbenzenesulfonamide
CID 29041934
N-(3-chloro-2,2-dimethylpropyl)-2,5-dimethylbenzenesulfonamide
CID 113295115
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 112770794
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide
CID 9236304
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815
4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide
CID 6735647
5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 29033224
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide
CID 113090550
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 107473844
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
CID 53350877

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide (CID 4790001) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)CN(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is OWRGIWDBECGWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-12-7-8-13(2)14(9-12)20(18,19)16-10-15(3,4)11-17(5)6/h7-9,16H,10-11H2,1-6H3.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 4790001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).