4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine

C14H25F2NO2S — CID 167027086

IUPAC4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(S(=O)(=O)[C@H]2CCCC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2NO2S/c1-11(2)17-8-5-12(6-9-17)20(18,19)13-4-3-7-14(15,16)10-13/h11-13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyLVDNKTUCRZWYIB-ZDUSSCGKSA-N
MW309.42 g/mol
LogP2.85
Rot. Bonds3

About 4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine

4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine (PubChem CID 167027086) has the molecular formula C14H25F2NO2S and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine
PubChem CID167027086
Molecular FormulaC14H25F2NO2S
Molecular Weight309.42 g/mol
Exact Mass309.16
IUPAC Name4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(S(=O)(=O)[C@H]2CCCC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2NO2S/c1-11(2)17-8-5-12(6-9-17)20(18,19)13-4-3-7-14(15,16)10-13/h11-13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyLVDNKTUCRZWYIB-ZDUSSCGKSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine?
The IUPAC name of 4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine (CID 167027086) is 4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine is CC(C)N1CCC(S(=O)(=O)[C@H]2CCCC(F)(F)C2)CC1.
What is the InChIKey of 4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine?
The InChIKey is LVDNKTUCRZWYIB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25F2NO2S/c1-11(2)17-8-5-12(6-9-17)20(18,19)13-4-3-7-14(15,16)10-13/h11-13H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine?
4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine has a molecular weight of 309.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 167027086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).