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

C11H21F3N2O2S — CID 83067714

IUPACN-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)7-4-8-19(17,18)16-10(9-15)5-2-1-3-6-10/h16H,1-9,15H2
InChIKeyAPQBGKJGRUKCBA-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.91
Rot. Bonds6

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

N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83067714) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83067714
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)7-4-8-19(17,18)16-10(9-15)5-2-1-3-6-10/h16H,1-9,15H2
InChIKeyAPQBGKJGRUKCBA-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83067714) is N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide is NCC1(NS(=O)(=O)CCCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is APQBGKJGRUKCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c12-11(13,14)7-4-8-19(17,18)16-10(9-15)5-2-1-3-6-10/h16H,1-9,15H2.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[1-(aminomethyl)cyclohexyl]-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-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83067714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).