N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide

C15H18F4N2O2S — CID 155146368

IUPACN-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC1(N)CC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F4N2O2S/c1-24(22,23)21(9-13(20)4-5-13)14(6-7-14)10-2-3-12(16)11(8-10)15(17,18)19/h2-3,8H,4-7,9,20H2,1H3
InChIKeyZASAWOPYQFNTIE-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.59
Rot. Bonds5

About N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide

N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide (PubChem CID 155146368) has the molecular formula C15H18F4N2O2S and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide
PubChem CID155146368
Molecular FormulaC15H18F4N2O2S
Molecular Weight366.38 g/mol
Exact Mass366.10
IUPAC NameN-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC1(N)CC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F4N2O2S/c1-24(22,23)21(9-13(20)4-5-13)14(6-7-14)10-2-3-12(16)11(8-10)15(17,18)19/h2-3,8H,4-7,9,20H2,1H3
InChIKeyZASAWOPYQFNTIE-UHFFFAOYSA-N
XLogP2.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine
CID 155146223
N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide
CID 155146424
1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
CID 162371815
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2S)-2-[2-(dimethylamino)ethylamino]-2-phenylethyl]methanesulfonamide
CID 44413187
(S)-N-(1-(4-fluoro-3-(trifluoromethyl)phenyl)cyclopropyl)-N-(pyrrolidin-2-ylmethyl) methanesulfonamide
CID 155146214
(R)-N-(1-(4-fluoro-3-(trifluoromethyl)phenyl)cyclopropyl)-N-(pyrrolidin-2-ylmethyl) methane sulfonamide
CID 155146240
(S)-N-(1-(4-fluoro-3-(trifluoromethyl)phenyl)cyclopropyl)-N-((1-methylpyrrolidin-2-yl)methyl)methanesulfonamide
CID 155146311
1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine
CID 155146323
1-[[[1-[4-Fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine
CID 155146590
N-[3-[2-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]methanesulfonamide
CID 53616953
N-[3-[[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]amino]propyl]methanesulfonamide
CID 97068123
N-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
CID 28731578

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide?
The IUPAC name of N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide (CID 155146368) is N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide.
What is the SMILES notation for N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide?
The canonical SMILES for N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide is CS(=O)(=O)N(CC1(N)CC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide?
The InChIKey is ZASAWOPYQFNTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2O2S/c1-24(22,23)21(9-13(20)4-5-13)14(6-7-14)10-2-3-12(16)11(8-10)15(17,18)19/h2-3,8H,4-7,9,20H2,1H3.
What are the key properties of N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide?
N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide has a molecular weight of 366.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide is sourced from PubChem (CID 155146368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).