N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

C16H28N2O2S — CID 2804483

IUPACN-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCCN(C)C)c(C)c1C
InChIInChI=1S/C16H28N2O2S/c1-11-12(2)14(4)16(15(5)13(11)3)21(19,20)17-9-8-10-18(6)7/h17H,8-10H2,1-7H3
InChIKeyYNCKKUWFCDROGM-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.46
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 2804483) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID2804483
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCCN(C)C)c(C)c1C
InChIInChI=1S/C16H28N2O2S/c1-11-12(2)14(4)16(15(5)13(11)3)21(19,20)17-9-8-10-18(6)7/h17H,8-10H2,1-7H3
InChIKeyYNCKKUWFCDROGM-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.46
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

4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide
CID 110758589
2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide
CID 19681388
2,3,4,5,6-pentamethyl-N-octylbenzenesulfonamide
CID 19681352
N-(4-aminobutyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 120583696
N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114133349
4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]butanoic acid
CID 43091508
3-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 134282662
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691
4-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]butanoic acid
CID 119172738
5-amino-N-[3-(dimethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79896277
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 2804483) is N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NCCCN(C)C)c(C)c1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is YNCKKUWFCDROGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-11-12(2)14(4)16(15(5)13(11)3)21(19,20)17-9-8-10-18(6)7/h17H,8-10H2,1-7H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 2804483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).