4-(1,3-benzodioxol-5-ylsulfonyl)piperidine

C12H15NO4S — CID 82305550

IUPAC4-(1,3-benzodioxol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc2c(c1)OCO2)C1CCNCC1
InChIInChI=1S/C12H15NO4S/c14-18(15,9-3-5-13-6-4-9)10-1-2-11-12(7-10)17-8-16-11/h1-2,7,9,13H,3-6,8H2
InChIKeyDFYQKTNDBFKEFE-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.94
Rot. Bonds2

About 4-(1,3-benzodioxol-5-ylsulfonyl)piperidine

4-(1,3-benzodioxol-5-ylsulfonyl)piperidine (PubChem CID 82305550) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylsulfonyl)piperidine
PubChem CID82305550
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-(1,3-benzodioxol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc2c(c1)OCO2)C1CCNCC1
InChIInChI=1S/C12H15NO4S/c14-18(15,9-3-5-13-6-4-9)10-1-2-11-12(7-10)17-8-16-11/h1-2,7,9,13H,3-6,8H2
InChIKeyDFYQKTNDBFKEFE-UHFFFAOYSA-N
XLogP0.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 28811020
4-piperidin-4-ylsulfonylaniline
CID 67192184
4-(1,3-benzodioxol-5-ylmethyl)piperidine
CID 17039498
3-piperidin-4-ylsulfonylphenol
CID 84702713
4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride
CID 18538635
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclohexan-1-one
CID 64725061
4-piperidin-4-ylsulfonylpyridine;hydrochloride
CID 71645560
N-methyl-3-piperidin-4-ylsulfonylaniline
CID 139989076
N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide
CID 110872894
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119929368
N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine
CID 117036355

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylsulfonyl)piperidine?
The IUPAC name of 4-(1,3-benzodioxol-5-ylsulfonyl)piperidine (CID 82305550) is 4-(1,3-benzodioxol-5-ylsulfonyl)piperidine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylsulfonyl)piperidine?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylsulfonyl)piperidine is O=S(=O)(c1ccc2c(c1)OCO2)C1CCNCC1.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylsulfonyl)piperidine?
The InChIKey is DFYQKTNDBFKEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-18(15,9-3-5-13-6-4-9)10-1-2-11-12(7-10)17-8-16-11/h1-2,7,9,13H,3-6,8H2.
What are the key properties of 4-(1,3-benzodioxol-5-ylsulfonyl)piperidine?
4-(1,3-benzodioxol-5-ylsulfonyl)piperidine has a molecular weight of 269.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-ylsulfonyl)piperidine is sourced from PubChem (CID 82305550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).