(4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine

C9H18FNO2S — CID 170135632

IUPAC(4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine
SMILESCC1C[C@@](C)(CF)CCN1S(C)(=O)=O
InChIInChI=1S/C9H18FNO2S/c1-8-6-9(2,7-10)4-5-11(8)14(3,12)13/h8H,4-7H2,1-3H3/t8?,9-/m0/s1
InChIKeyHDBIAXNAPVKRNU-GKAPJAKFSA-N
MW223.31 g/mol
LogP1.41
Rot. Bonds2

About (4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine

(4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine (PubChem CID 170135632) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is (4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name(4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine
PubChem CID170135632
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name(4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine
SMILESCC1C[C@@](C)(CF)CCN1S(C)(=O)=O
InChIInChI=1S/C9H18FNO2S/c1-8-6-9(2,7-10)4-5-11(8)14(3,12)13/h8H,4-7H2,1-3H3/t8?,9-/m0/s1
InChIKeyHDBIAXNAPVKRNU-GKAPJAKFSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine?
The IUPAC name of (4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine (CID 170135632) is (4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine.
What is the SMILES notation for (4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine?
The canonical SMILES for (4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine is CC1C[C@@](C)(CF)CCN1S(C)(=O)=O.
What is the InChIKey of (4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine?
The InChIKey is HDBIAXNAPVKRNU-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-8-6-9(2,7-10)4-5-11(8)14(3,12)13/h8H,4-7H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine?
(4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine has a molecular weight of 223.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 170135632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).