4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide

C17H30N2O2S — CID 110758589

IUPAC4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C17H30N2O2S/c1-13-11-15(17(3,4)5)12-14(2)16(13)22(20,21)18-9-8-10-19(6)7/h11-12,18H,8-10H2,1-7H3
InChIKeyNVOVPFBRSIGDIU-UHFFFAOYSA-N
MW326.51 g/mol
LogP2.83
Rot. Bonds6

About 4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide

4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide (PubChem CID 110758589) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide
PubChem CID110758589
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Name4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C17H30N2O2S/c1-13-11-15(17(3,4)5)12-14(2)16(13)22(20,21)18-9-8-10-19(6)7/h11-12,18H,8-10H2,1-7H3
InChIKeyNVOVPFBRSIGDIU-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 2804483
N-(4-aminobutyl)-4-tert-butyl-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120583236
4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973128
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]amino]propyl]amino]propyl]benzenesulfonamide
CID 10056638
5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
CID 110757907
N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19681729
5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 114132396
5-amino-N-[3-(dimethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79896277
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201
N-[4-(dimethylamino)butyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106051733
3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide
CID 110758544

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide (CID 110758589) is 4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide is Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCCCN(C)C.
What is the InChIKey of 4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is NVOVPFBRSIGDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2S/c1-13-11-15(17(3,4)5)12-14(2)16(13)22(20,21)18-9-8-10-19(6)7/h11-12,18H,8-10H2,1-7H3.
What are the key properties of 4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide?
4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 326.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 110758589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).