N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H25F3N2O3S — CID 55962308

IUPACN-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3N2O3S/c1-3-23(21,22)19(2)10-6-9-18-13(20)11-7-4-5-8-12(11)14(15,16)17/h11-12H,3-10H2,1-2H3,(H,18,20)
InChIKeyUQLOLSDTVSIQMQ-UHFFFAOYSA-N
MW358.43 g/mol
LogP2.14
Rot. Bonds7

About N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 55962308) has the molecular formula C14H25F3N2O3S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID55962308
Molecular FormulaC14H25F3N2O3S
Molecular Weight358.43 g/mol
Exact Mass358.15
IUPAC NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3N2O3S/c1-3-23(21,22)19(2)10-6-9-18-13(20)11-7-4-5-8-12(11)14(15,16)17/h11-12H,3-10H2,1-2H3,(H,18,20)
InChIKeyUQLOLSDTVSIQMQ-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 55962308) is N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is CCS(=O)(=O)N(C)CCCNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is UQLOLSDTVSIQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O3S/c1-3-23(21,22)19(2)10-6-9-18-13(20)11-7-4-5-8-12(11)14(15,16)17/h11-12H,3-10H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55962308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).