3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine

C13H25ClN2O2S — CID 63400764

IUPAC3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)N2CCCC(CCCl)C2)CC1
InChIInChI=1S/C13H25ClN2O2S/c1-12-5-9-15(10-6-12)19(17,18)16-8-2-3-13(11-16)4-7-14/h12-13H,2-11H2,1H3
InChIKeyYZNSEJSGASYSTD-UHFFFAOYSA-N
MW308.88 g/mol
LogP2.30
Rot. Bonds4

About 3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine

3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine (PubChem CID 63400764) has the molecular formula C13H25ClN2O2S and a molecular weight of 308.88 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine
PubChem CID63400764
Molecular FormulaC13H25ClN2O2S
Molecular Weight308.88 g/mol
Exact Mass308.13
IUPAC Name3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)N2CCCC(CCCl)C2)CC1
InChIInChI=1S/C13H25ClN2O2S/c1-12-5-9-15(10-6-12)19(17,18)16-8-2-3-13(11-16)4-7-14/h12-13H,2-11H2,1H3
InChIKeyYZNSEJSGASYSTD-UHFFFAOYSA-N
XLogP2.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 63400590
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CID 62358298
1-(2-chloroethyl)-4-(4-methylpiperidin-1-yl)sulfonyl-1,4-diazepane
CID 63397037
(3S)-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
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1-[3-(bromomethyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 80673941
3-(4-chlorobutyl)-1-methylsulfonylpiperidine
CID 79622058
2-[1-(azepan-1-ylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 114802300
[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol
CID 43589679
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 47154847
1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine
CID 131892932
1-(4-methylpiperidin-1-yl)sulfonylazetidin-3-amine
CID 63765450

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine?
The IUPAC name of 3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine (CID 63400764) is 3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine?
The canonical SMILES for 3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine is CC1CCN(S(=O)(=O)N2CCCC(CCCl)C2)CC1.
What is the InChIKey of 3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine?
The InChIKey is YZNSEJSGASYSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O2S/c1-12-5-9-15(10-6-12)19(17,18)16-8-2-3-13(11-16)4-7-14/h12-13H,2-11H2,1H3.
What are the key properties of 3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine?
3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine has a molecular weight of 308.88 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine is sourced from PubChem (CID 63400764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).