N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C10H18F3NOS — CID 104844737

IUPACN-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCS(=O)CCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NOS/c1-16(15)7-6-14-9-4-2-8(3-5-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyRQBYWFUXQITAGO-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.08
Rot. Bonds4

About N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104844737) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104844737
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC NameN-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCS(=O)CCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NOS/c1-16(15)7-6-14-9-4-2-8(3-5-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyRQBYWFUXQITAGO-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 104844737) is N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine is CS(=O)CCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is RQBYWFUXQITAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-16(15)7-6-14-9-4-2-8(3-5-9)10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104844737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).