3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride

C9H18ClNO2S — CID 102548987

IUPAC3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride
SMILESCC1CCCN(CCCS(=O)(=O)Cl)C1
InChIInChI=1S/C9H18ClNO2S/c1-9-4-2-5-11(8-9)6-3-7-14(10,12)13/h9H,2-8H2,1H3
InChIKeyMRPHQVWLPVXLHK-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.68
Rot. Bonds4

About 3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride

3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride (PubChem CID 102548987) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride
PubChem CID102548987
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride
SMILESCC1CCCN(CCCS(=O)(=O)Cl)C1
InChIInChI=1S/C9H18ClNO2S/c1-9-4-2-5-11(8-9)6-3-7-14(10,12)13/h9H,2-8H2,1H3
InChIKeyMRPHQVWLPVXLHK-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 112594595
3-(azocan-1-yl)propane-1-sulfonyl chloride
CID 112594604
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
1-butyl-3-methylpiperidine;ethane
CID 143349503
1-heptyl-3-methylpiperidine;methanesulfonic acid
CID 175583555
3-methyl-1-(2-methylsulfinylethyl)piperidine
CID 170021335
3-methyl-1-propylpiperidine;propane
CID 145147959
ethane;3-methyl-1-propylpiperidine
CID 156729460
2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 94119599
1-hexadecyl-3-methylpiperidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 172841939
(3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine
CID 66580780
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride (CID 102548987) is 3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride is CC1CCCN(CCCS(=O)(=O)Cl)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride?
The InChIKey is MRPHQVWLPVXLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-9-4-2-5-11(8-9)6-3-7-14(10,12)13/h9H,2-8H2,1H3.
What are the key properties of 3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride?
3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride has a molecular weight of 239.77 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 102548987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).