4,4-difluoro-3-methylpiperidine-1-sulfonamide

C6H12F2N2O2S — CID 130693591

IUPAC4,4-difluoro-3-methylpiperidine-1-sulfonamide
SMILESCC1CN(S(N)(=O)=O)CCC1(F)F
InChIInChI=1S/C6H12F2N2O2S/c1-5-4-10(13(9,11)12)3-2-6(5,7)8/h5H,2-4H2,1H3,(H2,9,11,12)
InChIKeyHTPWGEWDQSGLBB-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.17
Rot. Bonds1

About 4,4-difluoro-3-methylpiperidine-1-sulfonamide

4,4-difluoro-3-methylpiperidine-1-sulfonamide (PubChem CID 130693591) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 4,4-difluoro-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4,4-difluoro-3-methylpiperidine-1-sulfonamide
PubChem CID130693591
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name4,4-difluoro-3-methylpiperidine-1-sulfonamide
SMILESCC1CN(S(N)(=O)=O)CCC1(F)F
InChIInChI=1S/C6H12F2N2O2S/c1-5-4-10(13(9,11)12)3-2-6(5,7)8/h5H,2-4H2,1H3,(H2,9,11,12)
InChIKeyHTPWGEWDQSGLBB-UHFFFAOYSA-N
XLogP0.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methylpiperidine-1-sulfonamide?
The IUPAC name of 4,4-difluoro-3-methylpiperidine-1-sulfonamide (CID 130693591) is 4,4-difluoro-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 4,4-difluoro-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for 4,4-difluoro-3-methylpiperidine-1-sulfonamide is CC1CN(S(N)(=O)=O)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-methylpiperidine-1-sulfonamide?
The InChIKey is HTPWGEWDQSGLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c1-5-4-10(13(9,11)12)3-2-6(5,7)8/h5H,2-4H2,1H3,(H2,9,11,12).
What are the key properties of 4,4-difluoro-3-methylpiperidine-1-sulfonamide?
4,4-difluoro-3-methylpiperidine-1-sulfonamide has a molecular weight of 214.24 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 130693591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).