(3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane

C10H23F2NO2S — CID 176666025

IUPAC(3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane
SMILESCC.CC.C[C@H]1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H11F2NO2S.2C2H6/c1-5-2-3-9(4-5)12(10,11)6(7)8;2*1-2/h5-6H,2-4H2,1H3;2*1-2H3/t5-;;/m0../s1
InChIKeyZAXSRSXZDDWWTD-XRIGFGBMSA-N
MW259.36 g/mol
LogP2.93
Rot. Bonds2

About (3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane

(3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane (PubChem CID 176666025) has the molecular formula C10H23F2NO2S and a molecular weight of 259.36 g/mol. Its IUPAC name is (3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane.

Molecular Properties

Compound Name(3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane
PubChem CID176666025
Molecular FormulaC10H23F2NO2S
Molecular Weight259.36 g/mol
Exact Mass259.14
IUPAC Name(3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane
SMILESCC.CC.C[C@H]1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H11F2NO2S.2C2H6/c1-5-2-3-9(4-5)12(10,11)6(7)8;2*1-2/h5-6H,2-4H2,1H3;2*1-2H3/t5-;;/m0../s1
InChIKeyZAXSRSXZDDWWTD-XRIGFGBMSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(difluoromethylsulfonyl)pyrrolidin-3-ol
CID 79030730
1-(difluoromethylsulfonyl)-3-methylpiperazine
CID 65450334
1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
CID 114498941
4-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine
CID 80668701
1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine
CID 97260419
1-(difluoromethylsulfonyl)pyrrolidine
CID 58435998
[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 54592998
methyl (3S)-1-(difluoromethylsulfonyl)piperidine-3-carboxylate
CID 79032540
1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine
CID 60820125
2-(3-methylpiperidin-1-yl)sulfonylpropanoic acid
CID 61454331
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
(3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine
CID 176666128

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane?
The IUPAC name of (3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane (CID 176666025) is (3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane.
What is the SMILES notation for (3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane?
The canonical SMILES for (3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane is CC.CC.C[C@H]1CCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of (3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane?
The InChIKey is ZAXSRSXZDDWWTD-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H11F2NO2S.2C2H6/c1-5-2-3-9(4-5)12(10,11)6(7)8;2*1-2/h5-6H,2-4H2,1H3;2*1-2H3/t5-;;/m0../s1.
What are the key properties of (3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane?
(3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane has a molecular weight of 259.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine;ethane is sourced from PubChem (CID 176666025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).