4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide

C10H17F3N2OS — CID 113228177

IUPAC4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCSC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2OS/c11-10(12,13)17-6-5-15-9(16)7-1-3-8(14)4-2-7/h7-8H,1-6,14H2,(H,15,16)
InChIKeyUQBUJFMQBXEDAL-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.87
Rot. Bonds4

About 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide

4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 113228177) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
PubChem CID113228177
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCSC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2OS/c11-10(12,13)17-6-5-15-9(16)7-1-3-8(14)4-2-7/h7-8H,1-6,14H2,(H,15,16)
InChIKeyUQBUJFMQBXEDAL-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]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

Related Compounds

3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119727711
4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63227240
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
4-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxamide
CID 103795776
4-(2-tert-butylsulfanylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674071
4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
CID 106235907
N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide
CID 94101555
N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106221983
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
(3R)-1-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 99773480
6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid
CID 65285791

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide (CID 113228177) is 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)NCCSC(F)(F)F)CC1.
What is the InChIKey of 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is UQBUJFMQBXEDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c11-10(12,13)17-6-5-15-9(16)7-1-3-8(14)4-2-7/h7-8H,1-6,14H2,(H,15,16).
What are the key properties of 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide?
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 113228177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).