N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide

C10H19F3N2O2S — CID 64759599

IUPACN-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)15-6-5-14-9-4-2-3-8(7-9)10(11,12)13/h8-9,14-15H,2-7H2,1H3
InChIKeyPFYZWGSTAJBACX-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.25
Rot. Bonds5

About N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide

N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide (PubChem CID 64759599) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide
PubChem CID64759599
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)15-6-5-14-9-4-2-3-8(7-9)10(11,12)13/h8-9,14-15H,2-7H2,1H3
InChIKeyPFYZWGSTAJBACX-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 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 ≤ 51.25
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 N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide (CID 64759599) is N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide?
The InChIKey is PFYZWGSTAJBACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-18(16,17)15-6-5-14-9-4-2-3-8(7-9)10(11,12)13/h8-9,14-15H,2-7H2,1H3.
What are the key properties of N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide?
N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 64759599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).