1-(benzenesulfonyl)-4-(methoxymethyl)piperidine

C13H19NO3S — CID 63999066

IUPAC1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C13H19NO3S/c1-17-11-12-7-9-14(10-8-12)18(15,16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyUUXIRQDSMPWXGV-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.73
Rot. Bonds4

About 1-(benzenesulfonyl)-4-(methoxymethyl)piperidine

1-(benzenesulfonyl)-4-(methoxymethyl)piperidine (PubChem CID 63999066) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
PubChem CID63999066
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C13H19NO3S/c1-17-11-12-7-9-14(10-8-12)18(15,16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyUUXIRQDSMPWXGV-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63978614
4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline
CID 63979413
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
CID 64586716
4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine
CID 67277826
2-chloro-4-[4-(methoxymethyl)azepan-1-yl]sulfonylbenzoic acid
CID 136547952
2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-3-methylaniline
CID 63971698
9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118740784
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(methoxymethyl)piperidine?
The IUPAC name of 1-(benzenesulfonyl)-4-(methoxymethyl)piperidine (CID 63999066) is 1-(benzenesulfonyl)-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(methoxymethyl)piperidine is COCC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(methoxymethyl)piperidine?
The InChIKey is UUXIRQDSMPWXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-17-11-12-7-9-14(10-8-12)18(15,16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(methoxymethyl)piperidine?
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine has a molecular weight of 269.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(methoxymethyl)piperidine is sourced from PubChem (CID 63999066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).