N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide

C16H24F3NO3S — CID 136543574

IUPACN-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CCC(C(F)(F)F)CC1)C1CC12CCCCC2
InChIInChI=1S/C16H24F3NO3S/c17-16(18,19)11-4-6-12(7-5-11)24(22,23)20-14(21)13-10-15(13)8-2-1-3-9-15/h11-13H,1-10H2,(H,20,21)
InChIKeyDTOITKDMFCCHOV-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.52
Rot. Bonds3

About N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide

N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide (PubChem CID 136543574) has the molecular formula C16H24F3NO3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide
PubChem CID136543574
Molecular FormulaC16H24F3NO3S
Molecular Weight367.43 g/mol
Exact Mass367.14
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CCC(C(F)(F)F)CC1)C1CC12CCCCC2
InChIInChI=1S/C16H24F3NO3S/c17-16(18,19)11-4-6-12(7-5-11)24(22,23)20-14(21)13-10-15(13)8-2-1-3-9-15/h11-13H,1-10H2,(H,20,21)
InChIKeyDTOITKDMFCCHOV-UHFFFAOYSA-N
XLogP3.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide (CID 136543574) is N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide is O=C(NS(=O)(=O)C1CCC(C(F)(F)F)CC1)C1CC12CCCCC2.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide?
The InChIKey is DTOITKDMFCCHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO3S/c17-16(18,19)11-4-6-12(7-5-11)24(22,23)20-14(21)13-10-15(13)8-2-1-3-9-15/h11-13H,1-10H2,(H,20,21).
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide?
N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 136543574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).