(2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine

C15H21NO3S — CID 64507240

IUPAC(2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine
SMILESCC1(C)Cc2cccc(C(N)C3CCS(=O)(=O)C3)c2O1
InChIInChI=1S/C15H21NO3S/c1-15(2)8-10-4-3-5-12(14(10)19-15)13(16)11-6-7-20(17,18)9-11/h3-5,11,13H,6-9,16H2,1-2H3
InChIKeyFGHRVGCEXJRTOJ-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.83
Rot. Bonds2

About (2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine

(2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine (PubChem CID 64507240) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine
PubChem CID64507240
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine
SMILESCC1(C)Cc2cccc(C(N)C3CCS(=O)(=O)C3)c2O1
InChIInChI=1S/C15H21NO3S/c1-15(2)8-10-4-3-5-12(14(10)19-15)13(16)11-6-7-20(17,18)9-11/h3-5,11,13H,6-9,16H2,1-2H3
InChIKeyFGHRVGCEXJRTOJ-UHFFFAOYSA-N
XLogP1.83
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanol
CID 64506367
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,1-dioxothiolan-3-yl)methanamine
CID 64905167
(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine
CID 79977858
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 117314266
methyl 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-hydroxy-2-methylpropanoate
CID 64512701
2-(cyclopropylamino)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)acetic acid
CID 64507723
1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine
CID 64509728
(2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol
CID 64512506
(1,1-dioxothiolan-3-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 115336531
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
methyl 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propan-2-ylamino)acetate
CID 64507724
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine
CID 66073414

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine (CID 64507240) is (2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine is CC1(C)Cc2cccc(C(N)C3CCS(=O)(=O)C3)c2O1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine?
The InChIKey is FGHRVGCEXJRTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-15(2)8-10-4-3-5-12(14(10)19-15)13(16)11-6-7-20(17,18)9-11/h3-5,11,13H,6-9,16H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine?
(2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine has a molecular weight of 295.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanamine is sourced from PubChem (CID 64507240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).