N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C11H20F3NO2S — CID 64629735

IUPACN-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(CS(C)(=O)=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-8(7-18(2,16)17)15-10-5-3-9(4-6-10)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyGGGWOIYGUAHPGD-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.13
Rot. Bonds4

About N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64629735) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64629735
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(CS(C)(=O)=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-8(7-18(2,16)17)15-10-5-3-9(4-6-10)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyGGGWOIYGUAHPGD-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-N-[(2R)-4-methylsulfonylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429831
(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
3-(Cyclohexylmethylamino)-2,2-difluoropropane-1-sulfonic acid
CID 58691985
3-[(4,4-difluorocyclohexyl)methylsulfonyl]-N-methylpropan-1-amine
CID 70652457
(2S)-2-(cyclohexylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 87925510
(2R)-2-(cyclohexylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 87925518
3-[Dipropylsulfamoyl(trifluoromethylsulfonyl)methyl]sulfonylpropyl-methyl-(4-methylcyclohexyl)azanium
CID 145829339
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
3-Butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269058
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64629735) is N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CC(CS(C)(=O)=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GGGWOIYGUAHPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-8(7-18(2,16)17)15-10-5-3-9(4-6-10)11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64629735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).