N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine

C15H21NO3S — CID 105045248

IUPACN,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine
SMILESCNC(c1cc2cc(C)ccc2o1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H21NO3S/c1-10-6-7-12-11(8-10)9-13(19-12)14(16-4)15(2,3)20(5,17)18/h6-9,14,16H,1-5H3
InChIKeyTVYRJEZMEFASGM-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.82
Rot. Bonds4

About N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine

N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine (PubChem CID 105045248) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine
PubChem CID105045248
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine
SMILESCNC(c1cc2cc(C)ccc2o1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H21NO3S/c1-10-6-7-12-11(8-10)9-13(19-12)14(16-4)15(2,3)20(5,17)18/h6-9,14,16H,1-5H3
InChIKeyTVYRJEZMEFASGM-UHFFFAOYSA-N
XLogP2.82
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045170
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-ol
CID 115836378
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-propylpentan-1-amine
CID 105045144
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 114731389
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114728947
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine
CID 114730952
6-methyl-2-oxochromene-3-sulfonamide
CID 141216239
1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 65438890
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107503555
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine (CID 105045248) is N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine is CNC(c1cc2cc(C)ccc2o1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine?
The InChIKey is TVYRJEZMEFASGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-10-6-7-12-11(8-10)9-13(19-12)14(16-4)15(2,3)20(5,17)18/h6-9,14,16H,1-5H3.
What are the key properties of N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine?
N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 105045248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).