5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene

C15H27N3O5S — CID 112506990

IUPAC5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(C(CNS(=O)(=O)N(C)C)N(C)C)cc(OC)c1OC
InChIInChI=1S/C15H27N3O5S/c1-17(2)12(10-16-24(19,20)18(3)4)11-8-13(21-5)15(23-7)14(9-11)22-6/h8-9,12,16H,10H2,1-7H3
InChIKeyJDIGBOJLMNELDB-UHFFFAOYSA-N
MW361.46 g/mol
LogP0.71
Rot. Bonds9

About 5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene

5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene (PubChem CID 112506990) has the molecular formula C15H27N3O5S and a molecular weight of 361.46 g/mol. Its IUPAC name is 5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene
PubChem CID112506990
Molecular FormulaC15H27N3O5S
Molecular Weight361.46 g/mol
Exact Mass361.17
IUPAC Name5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(C(CNS(=O)(=O)N(C)C)N(C)C)cc(OC)c1OC
InChIInChI=1S/C15H27N3O5S/c1-17(2)12(10-16-24(19,20)18(3)4)11-8-13(21-5)15(23-7)14(9-11)22-6/h8-9,12,16H,10H2,1-7H3
InChIKeyJDIGBOJLMNELDB-UHFFFAOYSA-N
XLogP0.71
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 110624051
5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
CID 35313454
N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide
CID 112506945
1-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-3-fluorobenzene
CID 134035716
1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene
CID 110789543
N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110304317
N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 116914683
N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116909317
N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
CID 78873411
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 51169700
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 45003235
1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene
CID 110780838

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene (CID 112506990) is 5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene is COc1cc(C(CNS(=O)(=O)N(C)C)N(C)C)cc(OC)c1OC.
What is the InChIKey of 5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene?
The InChIKey is JDIGBOJLMNELDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5S/c1-17(2)12(10-16-24(19,20)18(3)4)11-8-13(21-5)15(23-7)14(9-11)22-6/h8-9,12,16H,10H2,1-7H3.
What are the key properties of 5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene?
5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene has a molecular weight of 361.46 g/mol, XLogP of 0.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 112506990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).