3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide

C8H17FN2O2S — CID 129064421

IUPAC3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)C1CCN(S(N)(=O)=O)CC1F
InChIInChI=1S/C8H17FN2O2S/c1-6(2)7-3-4-11(5-8(7)9)14(10,12)13/h6-8H,3-5H2,1-2H3,(H2,10,12,13)
InChIKeyNUSGLFJAMRZVQX-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.51
Rot. Bonds2

About 3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide

3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 129064421) has the molecular formula C8H17FN2O2S and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide
PubChem CID129064421
Molecular FormulaC8H17FN2O2S
Molecular Weight224.30 g/mol
Exact Mass224.10
IUPAC Name3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)C1CCN(S(N)(=O)=O)CC1F
InChIInChI=1S/C8H17FN2O2S/c1-6(2)7-3-4-11(5-8(7)9)14(10,12)13/h6-8H,3-5H2,1-2H3,(H2,10,12,13)
InChIKeyNUSGLFJAMRZVQX-UHFFFAOYSA-N
XLogP0.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,4-trimethylpiperidine-1-sulfonamide
CID 224932
4-[3-(Diethylamino)propyl]piperidine-1-sulfonamide
CID 75501813
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 127364964
3-Fluoro-4-methylpiperidine-1-sulfonamide
CID 129075058
4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide
CID 164933940
(3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine
CID 177300126
(3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine
CID 177300241
N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide
CID 45865755
(3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide
CID 51930229
(3R)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide
CID 51930230
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65772239

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide (CID 129064421) is 3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide is CC(C)C1CCN(S(N)(=O)=O)CC1F.
What is the InChIKey of 3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is NUSGLFJAMRZVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O2S/c1-6(2)7-3-4-11(5-8(7)9)14(10,12)13/h6-8H,3-5H2,1-2H3,(H2,10,12,13).
What are the key properties of 3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide?
3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 224.30 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 129064421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).