3-fluoro-4-methylpiperidine-1-sulfonamide

C6H13FN2O2S — CID 129075058

IUPAC3-fluoro-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(N)(=O)=O)CC1F
InChIInChI=1S/C6H13FN2O2S/c1-5-2-3-9(4-6(5)7)12(8,10)11/h5-6H,2-4H2,1H3,(H2,8,10,11)
InChIKeyDAZSSSHVNRWIQV-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.13
Rot. Bonds1

About 3-fluoro-4-methylpiperidine-1-sulfonamide

3-fluoro-4-methylpiperidine-1-sulfonamide (PubChem CID 129075058) has the molecular formula C6H13FN2O2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-fluoro-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methylpiperidine-1-sulfonamide
PubChem CID129075058
Molecular FormulaC6H13FN2O2S
Molecular Weight196.25 g/mol
Exact Mass196.07
IUPAC Name3-fluoro-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(N)(=O)=O)CC1F
InChIInChI=1S/C6H13FN2O2S/c1-5-2-3-9(4-6(5)7)12(8,10)11/h5-6H,2-4H2,1H3,(H2,8,10,11)
InChIKeyDAZSSSHVNRWIQV-UHFFFAOYSA-N
XLogP-0.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trifluoromethyl)piperidine-1-sulfonyl chloride
CID 65535206
N,N,4-trimethylpiperidine-1-sulfonamide
CID 224932
4-Ethylpiperidine-1-sulfonyl chloride
CID 61420702
4-Methylpiperidine-1-sulfonyl chloride
CID 16228446
3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide
CID 22008409
4-(Trifluoromethyl)piperidine-1-sulfonamide
CID 58349803
4-(Trifluoromethyl)piperidine-1-sulfinate
CID 122647034
N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 127364964
N-methyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 128360905
3-Fluoro-4-propan-2-ylpiperidine-1-sulfonamide
CID 129064421
3-Fluoro-4-methyl-1-methylsulfonylpiperidine
CID 131201244
4-Fluoropiperidine-1-sulfonamide
CID 134821832

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylpiperidine-1-sulfonamide?
The IUPAC name of 3-fluoro-4-methylpiperidine-1-sulfonamide (CID 129075058) is 3-fluoro-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-fluoro-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for 3-fluoro-4-methylpiperidine-1-sulfonamide is CC1CCN(S(N)(=O)=O)CC1F.
What is the InChIKey of 3-fluoro-4-methylpiperidine-1-sulfonamide?
The InChIKey is DAZSSSHVNRWIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O2S/c1-5-2-3-9(4-6(5)7)12(8,10)11/h5-6H,2-4H2,1H3,(H2,8,10,11).
What are the key properties of 3-fluoro-4-methylpiperidine-1-sulfonamide?
3-fluoro-4-methylpiperidine-1-sulfonamide has a molecular weight of 196.25 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 129075058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).