N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

C11H21F3N2O2S — CID 83059415

IUPACN-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1(CNS(=O)(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)7-4-8-19(17,18)16-9-10(15)5-2-1-3-6-10/h16H,1-9,15H2
InChIKeyAEPCWSOIBWAKBM-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.91
Rot. Bonds6

About N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059415) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059415
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1(CNS(=O)(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)7-4-8-19(17,18)16-9-10(15)5-2-1-3-6-10/h16H,1-9,15H2
InChIKeyAEPCWSOIBWAKBM-UHFFFAOYSA-N
XLogP1.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 18360967
1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide
CID 71057771
1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide
CID 71057775
1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
CID 71057816
1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 71057841
1-(1-aminocyclohexyl)-N-(2,2-difluoropropyl)-N-methylmethanesulfonamide
CID 71057852
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 155399157
N-[(1S,2S)-2-aminocyclohexyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide
CID 9840394
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598199

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83059415) is N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is NC1(CNS(=O)(=O)CCCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is AEPCWSOIBWAKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c12-11(13,14)7-4-8-19(17,18)16-9-10(15)5-2-1-3-6-10/h16H,1-9,15H2.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).