1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene

C11H18N2O3S — CID 884381

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene
SMILESCOc1ccc(CCNS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H18N2O3S/c1-13(2)17(14,15)12-9-8-10-4-6-11(16-3)7-5-10/h4-7,12H,8-9H2,1-3H3
InChIKeyVIXAPHHJKRSYGY-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.63
Rot. Bonds6

About 1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene

1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene (PubChem CID 884381) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene
PubChem CID884381
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene
SMILESCOc1ccc(CCNS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H18N2O3S/c1-13(2)17(14,15)12-9-8-10-4-6-11(16-3)7-5-10/h4-7,12H,8-9H2,1-3H3
InChIKeyVIXAPHHJKRSYGY-UHFFFAOYSA-N
XLogP0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene (CID 884381) is 1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene is COc1ccc(CCNS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene?
The InChIKey is VIXAPHHJKRSYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13(2)17(14,15)12-9-8-10-4-6-11(16-3)7-5-10/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene?
1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene has a molecular weight of 258.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethyl]-4-methoxybenzene is sourced from PubChem (CID 884381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).