2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C12H18N2O3S — CID 119973166

IUPAC2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCNCCNS(=O)(=O)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C12H18N2O3S/c1-9-7-10-8-11(3-4-12(10)17-9)18(15,16)14-6-5-13-2/h3-4,8-9,13-14H,5-7H2,1-2H3
InChIKeyFSOFTXBVVQJYGY-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.51
Rot. Bonds5

About 2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 119973166) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID119973166
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCNCCNS(=O)(=O)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C12H18N2O3S/c1-9-7-10-8-11(3-4-12(10)17-9)18(15,16)14-6-5-13-2/h3-4,8-9,13-14H,5-7H2,1-2H3
InChIKeyFSOFTXBVVQJYGY-UHFFFAOYSA-N
XLogP0.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119977213
N-(2-amino-2-cyclopropylethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120582443
2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
CID 165460112
(2S)-N-(1-amino-2-methylpropan-2-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 99603521
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97220391
4-methyl-2-[2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 146128032
N-[3,5-bis(hydroxymethyl)phenyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126823942
N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 56793259
N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 75430990
N-[2-(methylamino)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 62658542
(2R)-N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97325780
N-methyl-1-[1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine
CID 119977775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 119973166) is 2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CNCCNS(=O)(=O)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of 2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is FSOFTXBVVQJYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-7-10-8-11(3-4-12(10)17-9)18(15,16)14-6-5-13-2/h3-4,8-9,13-14H,5-7H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 119973166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).