1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine

C20H24N2O3S — CID 167859717

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine
SMILESCc1cccc(NC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)c1
InChIInChI=1S/C20H24N2O3S/c1-15-3-2-4-18(13-15)21-17-7-10-22(11-8-17)26(23,24)19-5-6-20-16(14-19)9-12-25-20/h2-6,13-14,17,21H,7-12H2,1H3
InChIKeyFHKRXTBHCQUGQQ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.20
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine

1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine (PubChem CID 167859717) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine
PubChem CID167859717
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine
SMILESCc1cccc(NC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)c1
InChIInChI=1S/C20H24N2O3S/c1-15-3-2-4-18(13-15)21-17-7-10-22(11-8-17)26(23,24)19-5-6-20-16(14-19)9-12-25-20/h2-6,13-14,17,21H,7-12H2,1H3
InChIKeyFHKRXTBHCQUGQQ-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine
CID 55361889
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
CID 66291738
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51294863
(3-methylphenyl) 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate
CID 18272301
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3-carbaldehyde
CID 162360978
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 55502979
(E)-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 24614409
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-pyridin-3-ylsulfonylpiperazine
CID 55627540
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3,5-dimethylpiperazine;hydrochloride
CID 119980558

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine (CID 167859717) is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine is Cc1cccc(NC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine?
The InChIKey is FHKRXTBHCQUGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-3-2-4-18(13-15)21-17-7-10-22(11-8-17)26(23,24)19-5-6-20-16(14-19)9-12-25-20/h2-6,13-14,17,21H,7-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine?
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine has a molecular weight of 372.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 167859717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).