N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide

C13H25F3N2O2S — CID 64754674

IUPACN-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide
SMILESCCN(CCCNC1CCC(C(F)(F)F)CC1)S(C)(=O)=O
InChIInChI=1S/C13H25F3N2O2S/c1-3-18(21(2,19)20)10-4-9-17-12-7-5-11(6-8-12)13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyVYNITRNAOBDTMM-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.37
Rot. Bonds7

About N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide

N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide (PubChem CID 64754674) has the molecular formula C13H25F3N2O2S and a molecular weight of 330.42 g/mol. Its IUPAC name is N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide
PubChem CID64754674
Molecular FormulaC13H25F3N2O2S
Molecular Weight330.42 g/mol
Exact Mass330.16
IUPAC NameN-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide
SMILESCCN(CCCNC1CCC(C(F)(F)F)CC1)S(C)(=O)=O
InChIInChI=1S/C13H25F3N2O2S/c1-3-18(21(2,19)20)10-4-9-17-12-7-5-11(6-8-12)13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyVYNITRNAOBDTMM-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4,4-difluoro-6-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343595
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343599
N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
CID 139343643
N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343667
N-((4,4-Difluoro-2,5-dimethylpiperidin-3-yl)methyl)methanesulfonamide
CID 139343963
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane
CID 162066506
1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide
CID 43523458
1,1-difluoro-N-(1-piperidin-4-ylethyl)methanesulfonamide
CID 43523490
N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide
CID 43598115
N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide
CID 43598118
N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 53376205
1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide
CID 53376311

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide (CID 64754674) is N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide is CCN(CCCNC1CCC(C(F)(F)F)CC1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide?
The InChIKey is VYNITRNAOBDTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O2S/c1-3-18(21(2,19)20)10-4-9-17-12-7-5-11(6-8-12)13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide has a molecular weight of 330.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 64754674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).