3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide

C10H19F3N2O2S — CID 64753668

IUPAC3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)8-2-4-9(5-3-8)15-6-1-7-18(14,16)17/h8-9,15H,1-7H2,(H2,14,16,17)
InChIKeyXSUWRSUCJGFALK-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.38
Rot. Bonds5

About 3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide

3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide (PubChem CID 64753668) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide
PubChem CID64753668
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)8-2-4-9(5-3-8)15-6-1-7-18(14,16)17/h8-9,15H,1-7H2,(H2,14,16,17)
InChIKeyXSUWRSUCJGFALK-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide?
The IUPAC name of 3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide (CID 64753668) is 3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide?
The canonical SMILES for 3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide is NS(=O)(=O)CCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide?
The InChIKey is XSUWRSUCJGFALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)8-2-4-9(5-3-8)15-6-1-7-18(14,16)17/h8-9,15H,1-7H2,(H2,14,16,17).
What are the key properties of 3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide?
3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)cyclohexyl]amino]propane-1-sulfonamide is sourced from PubChem (CID 64753668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).