[1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid

C7H11F3N2O4S — CID 66770383

IUPAC[1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O4S/c8-7(9,10)17(15,16)12-3-1-5(2-4-12)11-6(13)14/h5,11H,1-4H2,(H,13,14)
InChIKeyBCFBNVRICUJAKN-UHFFFAOYSA-N
MW276.24 g/mol
LogP0.57
Rot. Bonds2

About [1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid

[1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid (PubChem CID 66770383) has the molecular formula C7H11F3N2O4S and a molecular weight of 276.24 g/mol. Its IUPAC name is [1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid
PubChem CID66770383
Molecular FormulaC7H11F3N2O4S
Molecular Weight276.24 g/mol
Exact Mass276.04
IUPAC Name[1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O4S/c8-7(9,10)17(15,16)12-3-1-5(2-4-12)11-6(13)14/h5,11H,1-4H2,(H,13,14)
InChIKeyBCFBNVRICUJAKN-UHFFFAOYSA-N
XLogP0.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid (CID 66770383) is [1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of [1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid?
The InChIKey is BCFBNVRICUJAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O4S/c8-7(9,10)17(15,16)12-3-1-5(2-4-12)11-6(13)14/h5,11H,1-4H2,(H,13,14).
What are the key properties of [1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid?
[1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid has a molecular weight of 276.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66770383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).