N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide

C10H18F3NO2S — CID 95358805

IUPACN-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-2-6-17(15,16)14-9-5-3-4-8(7-9)10(11,12)13/h8-9,14H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyULQGPGMGYZCWMD-IUCAKERBSA-N
MW273.32 g/mol
LogP2.44
Rot. Bonds4

About N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide

N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide (PubChem CID 95358805) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
PubChem CID95358805
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC NameN-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-2-6-17(15,16)14-9-5-3-4-8(7-9)10(11,12)13/h8-9,14H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyULQGPGMGYZCWMD-IUCAKERBSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The IUPAC name of N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide (CID 95358805) is N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The InChIKey is ULQGPGMGYZCWMD-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-2-6-17(15,16)14-9-5-3-4-8(7-9)10(11,12)13/h8-9,14H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 95358805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).