1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine

C10H20FNO2S — CID 90320463

IUPAC1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine
SMILESCC(C)C(C)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H20FNO2S/c1-9(2)10(3,11)15(13,14)12-7-5-4-6-8-12/h9H,4-8H2,1-3H3
InChIKeyVLRBHFWEVOLZFD-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.14
Rot. Bonds3

About 1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine

1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine (PubChem CID 90320463) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine
PubChem CID90320463
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine
SMILESCC(C)C(C)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H20FNO2S/c1-9(2)10(3,11)15(13,14)12-7-5-4-6-8-12/h9H,4-8H2,1-3H3
InChIKeyVLRBHFWEVOLZFD-UHFFFAOYSA-N
XLogP2.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
1-(3-Fluoropropylsulfonyl)piperidine
CID 129349168
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227866
4,4-Difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine
CID 59634290
4-Methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59862750
4-Propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59921674
4-Ethyl-1-(trifluoromethylsulfonyl)piperidine
CID 68261275
4-Methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 71114479
4-Methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine
CID 88854828
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)-3,5-dimethylpiperidine
CID 88869798

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine?
The IUPAC name of 1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine (CID 90320463) is 1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine?
The canonical SMILES for 1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine is CC(C)C(C)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine?
The InChIKey is VLRBHFWEVOLZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-9(2)10(3,11)15(13,14)12-7-5-4-6-8-12/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine?
1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine has a molecular weight of 237.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylbutan-2-yl)sulfonylpiperidine is sourced from PubChem (CID 90320463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).