3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride

C10H20ClNO2S — CID 112594595

IUPAC3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride
SMILESCC1CC(C)CN(CCCS(=O)(=O)Cl)C1
InChIInChI=1S/C10H20ClNO2S/c1-9-6-10(2)8-12(7-9)4-3-5-15(11,13)14/h9-10H,3-8H2,1-2H3
InChIKeyVPLJQIGZLMLPJF-UHFFFAOYSA-N
MW253.79 g/mol
LogP1.92
Rot. Bonds4

About 3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride

3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride (PubChem CID 112594595) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride
PubChem CID112594595
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride
SMILESCC1CC(C)CN(CCCS(=O)(=O)Cl)C1
InChIInChI=1S/C10H20ClNO2S/c1-9-6-10(2)8-12(7-9)4-3-5-15(11,13)14/h9-10H,3-8H2,1-2H3
InChIKeyVPLJQIGZLMLPJF-UHFFFAOYSA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

piperidinium, 1-methyl-1-(3-sulfopropyl)-, inner salt
CID 10130697
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
1-(2,4-Dimethylpentyl)-4-(2-methylsulfonylethyl)piperazine
CID 121521066
2-(4-Methylpiperidin-1-yl)ethanesulfonyl fluoride
CID 126755742
2-(4-Propylpiperidin-1-yl)ethanesulfonyl fluoride
CID 138600562
2-(4-Propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride
CID 138659398
1-Ethylsulfonyl-3-methylpiperidine
CID 303056
1-Ethylsulfonyl-4-methylpiperidine
CID 303058
4-Methyl-1-propylsulfonylpiperidine
CID 303129
1-(Butylsulfonyl)-4-methylpiperidine
CID 303130
3-Methyl-1-(propane-1-sulfonyl)piperidine
CID 303131
1-(3-Methyl-1-methylsulfonylbutan-2-yl)piperidine
CID 134992857

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride (CID 112594595) is 3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride is CC1CC(C)CN(CCCS(=O)(=O)Cl)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride?
The InChIKey is VPLJQIGZLMLPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-9-6-10(2)8-12(7-9)4-3-5-15(11,13)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride?
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride has a molecular weight of 253.79 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 112594595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).