N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide

C11H21F3N2O2S — CID 83058527

IUPACN-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC1CCCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)6-3-7-19(17,18)16-10-5-2-1-4-9(10)8-15/h9-10,16H,1-8,15H2
InChIKeyUGVZOGKZFCJFGD-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.77
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058527) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058527
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC1CCCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)6-3-7-19(17,18)16-10-5-2-1-4-9(10)8-15/h9-10,16H,1-8,15H2
InChIKeyUGVZOGKZFCJFGD-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
(3R)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11521729
3-Amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11694544
N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 18360967
(3S)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 58691942
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 155399157
1-(4-fluorocyclohexyl)-N-propan-2-ylmethanesulfonamide
CID 164015551
N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 172528636
N-[(1S,2S)-2-aminocyclohexyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide
CID 9840394

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83058527) is N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide is NCC1CCCCC1NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is UGVZOGKZFCJFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c12-11(13,14)6-3-7-19(17,18)16-10-5-2-1-4-9(10)8-15/h9-10,16H,1-8,15H2.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).