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

C9H17F2NO2S — CID 170135633

IUPAC(4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine
SMILESCC1C[C@@](C)(C(F)F)CCN1S(C)(=O)=O
InChIInChI=1S/C9H17F2NO2S/c1-7-6-9(2,8(10)11)4-5-12(7)15(3,13)14/h7-8H,4-6H2,1-3H3/t7?,9-/m0/s1
InChIKeyDZMLMUPZFGOKDN-NETXQHHPSA-N
MW241.30 g/mol
LogP1.70
Rot. Bonds2

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

(4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine (PubChem CID 170135633) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is (4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name(4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine
PubChem CID170135633
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC Name(4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine
SMILESCC1C[C@@](C)(C(F)F)CCN1S(C)(=O)=O
InChIInChI=1S/C9H17F2NO2S/c1-7-6-9(2,8(10)11)4-5-12(7)15(3,13)14/h7-8H,4-6H2,1-3H3/t7?,9-/m0/s1
InChIKeyDZMLMUPZFGOKDN-NETXQHHPSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine?
The IUPAC name of (4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine (CID 170135633) is (4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine.
What is the SMILES notation for (4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine?
The canonical SMILES for (4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine is CC1C[C@@](C)(C(F)F)CCN1S(C)(=O)=O.
What is the InChIKey of (4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine?
The InChIKey is DZMLMUPZFGOKDN-NETXQHHPSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-7-6-9(2,8(10)11)4-5-12(7)15(3,13)14/h7-8H,4-6H2,1-3H3/t7?,9-/m0/s1.
What are the key properties of (4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine?
(4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine has a molecular weight of 241.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 170135633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).