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

C13H18N2O3S — CID 43556396

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C13H18N2O3S/c14-11-3-6-15(7-4-11)19(16,17)12-1-2-13-10(9-12)5-8-18-13/h1-2,9,11H,3-8,14H2
InChIKeyOAIXGWBZUWOUCF-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.73
Rot. Bonds2

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

1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine (PubChem CID 43556396) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
PubChem CID43556396
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C13H18N2O3S/c14-11-3-6-15(7-4-11)19(16,17)12-1-2-13-10(9-12)5-8-18-13/h1-2,9,11H,3-8,14H2
InChIKeyOAIXGWBZUWOUCF-UHFFFAOYSA-N
XLogP0.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
(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
[(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-fluoropiperidin-4-yl]methanol
CID 169128286
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol
CID 43589686
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 55502979
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine
CID 167859717
(3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-3-amine
CID 115301679
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-pyridin-3-ylsulfonylpiperazine
CID 55627540

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine (CID 43556396) is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine is NC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine?
The InChIKey is OAIXGWBZUWOUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-11-3-6-15(7-4-11)19(16,17)12-1-2-13-10(9-12)5-8-18-13/h1-2,9,11H,3-8,14H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine?
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine has a molecular weight of 282.36 g/mol, XLogP of 0.73, 2 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)piperidin-4-amine is sourced from PubChem (CID 43556396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).