3-methylpiperidine-1-sulfonyl fluoride

C6H12FNO2S — CID 135564431

IUPAC3-methylpiperidine-1-sulfonyl fluoride
SMILESCC1CCCN(S(=O)(=O)F)C1
InChIInChI=1S/C6H12FNO2S/c1-6-3-2-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3
InChIKeyVKOLOWPLZGHQJU-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.93
Rot. Bonds1

About 3-methylpiperidine-1-sulfonyl fluoride

3-methylpiperidine-1-sulfonyl fluoride (PubChem CID 135564431) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-methylpiperidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-methylpiperidine-1-sulfonyl fluoride
PubChem CID135564431
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name3-methylpiperidine-1-sulfonyl fluoride
SMILESCC1CCCN(S(=O)(=O)F)C1
InChIInChI=1S/C6H12FNO2S/c1-6-3-2-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3
InChIKeyVKOLOWPLZGHQJU-UHFFFAOYSA-N
XLogP0.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine-1-sulfonyl fluoride
CID 12955991
3,5-Dimethylpiperidine-1-sulfonyl chloride
CID 16228529
3-Methylpiperidine-1-sulfonyl chloride
CID 16769272
4-Ethylpiperidine-1-sulfonyl chloride
CID 61420702
4-Methylpiperidine-1-sulfonyl chloride
CID 16228446
3-Fluoro-4-methylpiperidine-1-sulfonamide
CID 129075058
4-Methylpiperidine-1-sulfonyl fluoride
CID 56965516
3-(Trifluoromethyl)piperidine-1-sulfonyl chloride
CID 65535205
(3R)-3-(Trifluoromethyl)piperidine-1-sulfonyl chloride
CID 98868740
(3S)-3-(Trifluoromethyl)piperidine-1-sulfonyl chloride
CID 98868741
4,4-Difluoro-3-methylpiperidine-1-sulfonamide
CID 130693591
4-(2-Fluoroethyl)piperidine-1-sulfonyl fluoride
CID 135564423

Frequently Asked Questions

What is the IUPAC name of 3-methylpiperidine-1-sulfonyl fluoride?
The IUPAC name of 3-methylpiperidine-1-sulfonyl fluoride (CID 135564431) is 3-methylpiperidine-1-sulfonyl fluoride.
What is the SMILES notation for 3-methylpiperidine-1-sulfonyl fluoride?
The canonical SMILES for 3-methylpiperidine-1-sulfonyl fluoride is CC1CCCN(S(=O)(=O)F)C1.
What is the InChIKey of 3-methylpiperidine-1-sulfonyl fluoride?
The InChIKey is VKOLOWPLZGHQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-6-3-2-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3.
What are the key properties of 3-methylpiperidine-1-sulfonyl fluoride?
3-methylpiperidine-1-sulfonyl fluoride has a molecular weight of 181.23 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidine-1-sulfonyl fluoride is sourced from PubChem (CID 135564431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).