N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide

C10H19F3N2O2S — CID 64756481

IUPACN-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)15-7-6-14-9-4-2-8(3-5-9)10(11,12)13/h8-9,14-15H,2-7H2,1H3
InChIKeyCOFGOWJCUPELCD-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.25
Rot. Bonds5

About N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide

N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide (PubChem CID 64756481) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide
PubChem CID64756481
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)15-7-6-14-9-4-2-8(3-5-9)10(11,12)13/h8-9,14-15H,2-7H2,1H3
InChIKeyCOFGOWJCUPELCD-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
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-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343667
N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide
CID 139343709
N-((4,4-Difluoro-2,5-dimethylpiperidin-3-yl)methyl)methanesulfonamide
CID 139343963
2-Aminoethyl(2-ethylhexyl)azanium;methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 159742918
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
N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 53376205
N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
CID 55258000
1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine
CID 55258196
N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
CID 61252928

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide (CID 64756481) is N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide?
The InChIKey is COFGOWJCUPELCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-18(16,17)15-7-6-14-9-4-2-8(3-5-9)10(11,12)13/h8-9,14-15H,2-7H2,1H3.
What are the key properties of N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide?
N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 64756481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).