[(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone

C19H22N2O3S — CID 124593236

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H22N2O3S/c20-16-8-6-12-21(13-16)19(22)18-11-5-4-7-15(18)14-25(23,24)17-9-2-1-3-10-17/h1-5,7,9-11,16H,6,8,12-14,20H2/t16-/m1/s1
InChIKeySJZPRAHQWTZHBP-MRXNPFEDSA-N
MW358.46 g/mol
LogP2.22
Rot. Bonds4

About [(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone (PubChem CID 124593236) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone
PubChem CID124593236
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H22N2O3S/c20-16-8-6-12-21(13-16)19(22)18-11-5-4-7-15(18)14-25(23,24)17-9-2-1-3-10-17/h1-5,7,9-11,16H,6,8,12-14,20H2/t16-/m1/s1
InChIKeySJZPRAHQWTZHBP-MRXNPFEDSA-N
XLogP2.22
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 119380119
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
[2-(benzenesulfonylmethyl)phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635281
[2-(benzenesulfonylmethyl)phenyl]-(1,4-diazepan-1-yl)methanone
CID 119414494
1-[[2-(benzenesulfonylmethyl)phenyl]methyl]azepan-3-amine
CID 70751607
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide
CID 119378827
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971189
N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride
CID 119378826
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone (CID 124593236) is [(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone is N[C@@H]1CCCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone?
The InChIKey is SJZPRAHQWTZHBP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O3S/c20-16-8-6-12-21(13-16)19(22)18-11-5-4-7-15(18)14-25(23,24)17-9-2-1-3-10-17/h1-5,7,9-11,16H,6,8,12-14,20H2/t16-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone has a molecular weight of 358.46 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 124593236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).