N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine

C18H25F2NO2S — CID 112840908

IUPACN-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine
SMILESO=S(=O)(c1ccc(CN(CC2CCCCC2)C2CC2)cc1)C(F)F
InChIInChI=1S/C18H25F2NO2S/c19-18(20)24(22,23)17-10-6-15(7-11-17)13-21(16-8-9-16)12-14-4-2-1-3-5-14/h6-7,10-11,14,16,18H,1-5,8-9,12-13H2
InChIKeyIYRRAYOFRJHGJZ-UHFFFAOYSA-N
MW357.47 g/mol
LogP4.23
Rot. Bonds7

About N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine

N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine (PubChem CID 112840908) has the molecular formula C18H25F2NO2S and a molecular weight of 357.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine
PubChem CID112840908
Molecular FormulaC18H25F2NO2S
Molecular Weight357.47 g/mol
Exact Mass357.16
IUPAC NameN-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine
SMILESO=S(=O)(c1ccc(CN(CC2CCCCC2)C2CC2)cc1)C(F)F
InChIInChI=1S/C18H25F2NO2S/c19-18(20)24(22,23)17-10-6-15(7-11-17)13-21(16-8-9-16)12-14-4-2-1-3-5-14/h6-7,10-11,14,16,18H,1-5,8-9,12-13H2
InChIKeyIYRRAYOFRJHGJZ-UHFFFAOYSA-N
XLogP4.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{2-[(4-Methylphenyl)sulfonyl]-1-phenylethyl}piperidine
CID 2941486
N-((4-fluoro-1-(4-(methylsulfonyl) benzyl)piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453535
1-[2-(4-Methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
CID 2822183
N-[(4-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 42919838
2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 42947448
2-methyl-N-(2-methylbenzyl)-N-[4-(methylsulfonyl)benzyl]propan-1-amine
CID 46992780
2-(3-Fluorophenyl)-1-[4-(methylsulfonyl)benzyl]piperidine
CID 56904080
2-(4-Fluorophenyl)-1-[4-(methylsulfonyl)benzyl]piperidine
CID 56912133
N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine
CID 71133485
(2S,3S)-1-benzhydryl-2-(fluoromethyl)-3-(4-methylsulfonylphenyl)aziridine
CID 56834414
(3S)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-5-methylhexan-3-amine
CID 102158176
(3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine
CID 102158178

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine (CID 112840908) is N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine is O=S(=O)(c1ccc(CN(CC2CCCCC2)C2CC2)cc1)C(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine?
The InChIKey is IYRRAYOFRJHGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO2S/c19-18(20)24(22,23)17-10-6-15(7-11-17)13-21(16-8-9-16)12-14-4-2-1-3-5-14/h6-7,10-11,14,16,18H,1-5,8-9,12-13H2.
What are the key properties of N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine?
N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine has a molecular weight of 357.47 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 112840908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).