(3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine

C9H18FNO2S — CID 177300126

IUPAC(3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CCN(S(C)(=O)=O)C[C@H]1F
InChIInChI=1S/C9H18FNO2S/c1-7(2)8-4-5-11(6-9(8)10)14(3,12)13/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyBFHBKEBUPDBXCQ-DTWKUNHWSA-N
MW223.31 g/mol
LogP1.26
Rot. Bonds2

About (3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine

(3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine (PubChem CID 177300126) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine
PubChem CID177300126
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name(3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CCN(S(C)(=O)=O)C[C@H]1F
InChIInChI=1S/C9H18FNO2S/c1-7(2)8-4-5-11(6-9(8)10)14(3,12)13/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyBFHBKEBUPDBXCQ-DTWKUNHWSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Methylsulfonyl)-3-(trifluoromethyl)piperidine
CID 3646972
4-Fluoro-4-methyl-1-methylsulfonylpiperidine
CID 165041438
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227866
4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
3-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 58689229
4-Propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59921674
1-Methylsulfonyl-4-(trifluoromethyl)piperidine
CID 65545889
3,5-Diethyl-1-(trifluoromethylsulfonyl)piperidine
CID 67670672
4-Ethyl-1-(trifluoromethylsulfonyl)piperidine
CID 68261275
4-Methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 71114479

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine?
The IUPAC name of (3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine (CID 177300126) is (3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine.
What is the SMILES notation for (3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine?
The canonical SMILES for (3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine is CC(C)[C@@H]1CCN(S(C)(=O)=O)C[C@H]1F.
What is the InChIKey of (3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine?
The InChIKey is BFHBKEBUPDBXCQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-7(2)8-4-5-11(6-9(8)10)14(3,12)13/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine?
(3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine has a molecular weight of 223.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 177300126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).