(6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine

C15H22N2O3S — CID 82166543

IUPAC(6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESCc1c(S(=O)(=O)N2CCCC2)cc2c(c1C)OC(CN)C2
InChIInChI=1S/C15H22N2O3S/c1-10-11(2)15-12(7-13(9-16)20-15)8-14(10)21(18,19)17-5-3-4-6-17/h8,13H,3-7,9,16H2,1-2H3
InChIKeyVDEHCDNHCUMWQX-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.35
Rot. Bonds3

About (6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine

(6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 82166543) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID82166543
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESCc1c(S(=O)(=O)N2CCCC2)cc2c(c1C)OC(CN)C2
InChIInChI=1S/C15H22N2O3S/c1-10-11(2)15-12(7-13(9-16)20-15)8-14(10)21(18,19)17-5-3-4-6-17/h8,13H,3-7,9,16H2,1-2H3
InChIKeyVDEHCDNHCUMWQX-UHFFFAOYSA-N
XLogP1.35
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 82166547
1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 700184
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119631623
1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane
CID 110758344
2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 82166478
1-[3-bromo-5-(chloromethyl)-2-methylphenyl]sulfonylazepane
CID 81488201
[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963938
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
CID 718928
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
4-fluoro-3-methyl-5-pyrrolidin-1-ylsulfonylaniline
CID 80646540

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 82166543) is (6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine is Cc1c(S(=O)(=O)N2CCCC2)cc2c(c1C)OC(CN)C2.
What is the InChIKey of (6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is VDEHCDNHCUMWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-11(2)15-12(7-13(9-16)20-15)8-14(10)21(18,19)17-5-3-4-6-17/h8,13H,3-7,9,16H2,1-2H3.
What are the key properties of (6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
(6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 310.42 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 82166543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).