5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran

C12H18N2O3S — CID 110792417

IUPAC5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran
SMILESCN(C)S(=O)(=O)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C12H18N2O3S/c1-14(2)18(15,16)13-7-5-10-3-4-12-11(9-10)6-8-17-12/h3-4,9,13H,5-8H2,1-2H3
InChIKeyNZAMDUYSMRVUNA-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.56
Rot. Bonds5

About 5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran

5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran (PubChem CID 110792417) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran
PubChem CID110792417
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran
SMILESCN(C)S(=O)(=O)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C12H18N2O3S/c1-14(2)18(15,16)13-7-5-10-3-4-12-11(9-10)6-8-17-12/h3-4,9,13H,5-8H2,1-2H3
InChIKeyNZAMDUYSMRVUNA-UHFFFAOYSA-N
XLogP0.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110792439
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
CID 110787105
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 65445582
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 106813163
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120715684
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]pentan-3-ol
CID 65446932
3-(chloromethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pentan-3-amine
CID 65446522
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide
CID 110790458

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran (CID 110792417) is 5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran is CN(C)S(=O)(=O)NCCc1ccc2c(c1)CCO2.
What is the InChIKey of 5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is NZAMDUYSMRVUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14(2)18(15,16)13-7-5-10-3-4-12-11(9-10)6-8-17-12/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran?
5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 270.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 110792417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).