2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide

C14H22N2O3S — CID 106336127

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC1c2ccccc2OC1(C)C
InChIInChI=1S/C14H22N2O3S/c1-14(2)13(11-7-5-6-8-12(11)19-14)15-9-10-20(17,18)16(3)4/h5-8,13,15H,9-10H2,1-4H3
InChIKeyVYOPJNNSWHBEQY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.38
Rot. Bonds5

About 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide

2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106336127) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106336127
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC1c2ccccc2OC1(C)C
InChIInChI=1S/C14H22N2O3S/c1-14(2)13(11-7-5-6-8-12(11)19-14)15-9-10-20(17,18)16(3)4/h5-8,13,15H,9-10H2,1-4H3
InChIKeyVYOPJNNSWHBEQY-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-ethylethanesulfonamide
CID 106334729
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705
2,2-dimethyl-N-(4-methylsulfanylbutyl)-3H-1-benzofuran-3-amine
CID 106701442
N-hex-5-ynyl-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106209887
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
CID 106700860
1-N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 106700808
3-[2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]ethylsulfanyl]propan-1-ol
CID 106309576
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide (CID 106336127) is 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNC1c2ccccc2OC1(C)C.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is VYOPJNNSWHBEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2)13(11-7-5-6-8-12(11)19-14)15-9-10-20(17,18)16(3)4/h5-8,13,15H,9-10H2,1-4H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106336127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).