1-(4-methylpiperidin-1-yl)sulfonylazocane

C13H26N2O2S — CID 176961547

IUPAC1-(4-methylpiperidin-1-yl)sulfonylazocane
SMILESCC1CCN(S(=O)(=O)N2CCCCCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-13-7-11-15(12-8-13)18(16,17)14-9-5-3-2-4-6-10-14/h13H,2-12H2,1H3
InChIKeyZRKPUFMONUGEDU-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.23
Rot. Bonds2

About 1-(4-methylpiperidin-1-yl)sulfonylazocane

1-(4-methylpiperidin-1-yl)sulfonylazocane (PubChem CID 176961547) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonylazocane.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonylazocane
PubChem CID176961547
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonylazocane
SMILESCC1CCN(S(=O)(=O)N2CCCCCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-13-7-11-15(12-8-13)18(16,17)14-9-5-3-2-4-6-10-14/h13H,2-12H2,1H3
InChIKeyZRKPUFMONUGEDU-UHFFFAOYSA-N
XLogP2.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3690578
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 5071683
N-methyl-1-piperidin-1-ylsulfonylpiperidin-4-amine
CID 60819803
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 47154847
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
1-(4-methylpiperidin-1-yl)sulfonylazetidin-3-amine
CID 63765450
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
[1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol
CID 116636735
(3S)-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 94340323
1-(2-chloroethyl)-4-(4-methylpiperidin-1-yl)sulfonyl-1,4-diazepane
CID 63397037
4-ethynyl-1-piperidin-1-ylsulfonylpiperidine
CID 165436307
1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol
CID 103834616

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonylazocane?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonylazocane (CID 176961547) is 1-(4-methylpiperidin-1-yl)sulfonylazocane.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonylazocane?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonylazocane is CC1CCN(S(=O)(=O)N2CCCCCCC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonylazocane?
The InChIKey is ZRKPUFMONUGEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-13-7-11-15(12-8-13)18(16,17)14-9-5-3-2-4-6-10-14/h13H,2-12H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonylazocane?
1-(4-methylpiperidin-1-yl)sulfonylazocane has a molecular weight of 274.43 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonylazocane is sourced from PubChem (CID 176961547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).