N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine

C11H20F3NOS — CID 113487314

IUPACN-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCS(=O)CCCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NOS/c1-17(16)7-3-6-15-10-5-2-4-9(8-10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyTXBGFZOUEZIWQU-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.47
Rot. Bonds5

About N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 113487314) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID113487314
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC NameN-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCS(=O)CCCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NOS/c1-17(16)7-3-6-15-10-5-2-4-9(8-10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyTXBGFZOUEZIWQU-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-[3-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434425
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43730474
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43730757
N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43747397
1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43747496
1-oxo-N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 54981383
1-oxo-N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 54981430

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 113487314) is N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine is CS(=O)CCCNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is TXBGFZOUEZIWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-17(16)7-3-6-15-10-5-2-4-9(8-10)11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 113487314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).