N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine

C12H22F3NOS — CID 113490412

IUPACN-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(CCNC1CCCCC1C(F)(F)F)S(C)=O
InChIInChI=1S/C12H22F3NOS/c1-9(18(2)17)7-8-16-11-6-4-3-5-10(11)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeySUQPAZXGAZJDRG-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.85
Rot. Bonds5

About N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 113490412) has the molecular formula C12H22F3NOS and a molecular weight of 285.38 g/mol. Its IUPAC name is N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID113490412
Molecular FormulaC12H22F3NOS
Molecular Weight285.38 g/mol
Exact Mass285.14
IUPAC NameN-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(CCNC1CCCCC1C(F)(F)F)S(C)=O
InChIInChI=1S/C12H22F3NOS/c1-9(18(2)17)7-8-16-11-6-4-3-5-10(11)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeySUQPAZXGAZJDRG-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
CID 115894507
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 106040935
N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64759304
2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64756873
2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759490
N-propan-2-yl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758473
(1R,2S,4R)-2,4-dimethyl-N-[(3R)-3-[(R)-methylsulfinyl]butyl]cyclohexan-1-amine
CID 99854373
2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
CID 103264696
N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759706
N-(3-methylsulfinylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115901511
N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 115406111

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 113490412) is N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine is CC(CCNC1CCCCC1C(F)(F)F)S(C)=O.
What is the InChIKey of N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is SUQPAZXGAZJDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NOS/c1-9(18(2)17)7-8-16-11-6-4-3-5-10(11)12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 113490412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).