(2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine

C13H18N2O3S — CID 82756085

IUPAC(2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H18N2O3S/c1-10-9-14-5-6-15(10)19(16,17)12-2-3-13-11(8-12)4-7-18-13/h2-3,8,10,14H,4-7,9H2,1H3/t10-/m1/s1
InChIKeyKJZYNOJBQSMXPX-SNVBAGLBSA-N
MW282.36 g/mol
LogP0.60
Rot. Bonds2

About (2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine

(2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine (PubChem CID 82756085) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine
PubChem CID82756085
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name(2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H18N2O3S/c1-10-9-14-5-6-15(10)19(16,17)12-2-3-13-11(8-12)4-7-18-13/h2-3,8,10,14H,4-7,9H2,1H3/t10-/m1/s1
InChIKeyKJZYNOJBQSMXPX-SNVBAGLBSA-N
XLogP0.60
TPSA58.64 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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-methylpiperazin-2-one
CID 63362855
2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
CID 120765181
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride
CID 119970068
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
(3S,8aR)-2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95768177
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895075
1-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine?
The IUPAC name of (2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine (CID 82756085) is (2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine?
The canonical SMILES for (2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine is C[C@@H]1CNCCN1S(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of (2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine?
The InChIKey is KJZYNOJBQSMXPX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-9-14-5-6-15(10)19(16,17)12-2-3-13-11(8-12)4-7-18-13/h2-3,8,10,14H,4-7,9H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine?
(2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine has a molecular weight of 282.36 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine is sourced from PubChem (CID 82756085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).