2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide

C9H17F3N2O2S — CID 64756282

IUPAC2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)7-1-3-8(4-2-7)14-5-6-17(13,15)16/h7-8,14H,1-6H2,(H2,13,15,16)
InChIKeyHQUIYSMPNTXUFZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.99
Rot. Bonds4

About 2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide

2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide (PubChem CID 64756282) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
PubChem CID64756282
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)7-1-3-8(4-2-7)14-5-6-17(13,15)16/h7-8,14H,1-6H2,(H2,13,15,16)
InChIKeyHQUIYSMPNTXUFZ-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
The IUPAC name of 2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide (CID 64756282) is 2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide is NS(=O)(=O)CCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
The InChIKey is HQUIYSMPNTXUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)7-1-3-8(4-2-7)14-5-6-17(13,15)16/h7-8,14H,1-6H2,(H2,13,15,16).
What are the key properties of 2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide is sourced from PubChem (CID 64756282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).