(5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine

C15H22N2O3S — CID 82166547

IUPAC(5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESCc1cc2c(c(S(=O)(=O)N3CCCCC3)c1)OC(CN)C2
InChIInChI=1S/C15H22N2O3S/c1-11-7-12-9-13(10-16)20-15(12)14(8-11)21(18,19)17-5-3-2-4-6-17/h7-8,13H,2-6,9-10,16H2,1H3
InChIKeyPEHANERCMKDIRC-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.43
Rot. Bonds3

About (5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine

(5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 82166547) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID82166547
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESCc1cc2c(c(S(=O)(=O)N3CCCCC3)c1)OC(CN)C2
InChIInChI=1S/C15H22N2O3S/c1-11-7-12-9-13(10-16)20-15(12)14(8-11)21(18,19)17-5-3-2-4-6-17/h7-8,13H,2-6,9-10,16H2,1H3
InChIKeyPEHANERCMKDIRC-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6,7-dimethyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 82166543
1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane
CID 110758344
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965
[4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782154
[7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56721337
1-(3-tert-butyl-2-methoxy-5-methylphenyl)sulfonylpyrrolidine
CID 110758574
2-(aminomethyl)-N-cyclopropyl-5-fluoro-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 82166478
6-(azepan-1-ylsulfonyl)-7-methyl-1,4-dihydroquinoxaline-2,3-dione
CID 20913976
[4-(2,4-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782183
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
N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 35203349

Frequently Asked Questions

What is the IUPAC name of (5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 82166547) is (5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine is Cc1cc2c(c(S(=O)(=O)N3CCCCC3)c1)OC(CN)C2.
What is the InChIKey of (5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is PEHANERCMKDIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-7-12-9-13(10-16)20-15(12)14(8-11)21(18,19)17-5-3-2-4-6-17/h7-8,13H,2-6,9-10,16H2,1H3.
What are the key properties of (5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
(5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 310.42 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 82166547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).