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

C12H23F3N2O2S — CID 83068387

IUPACN-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCN(C1(CN)CCCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2S/c1-17(11(10-16)6-3-2-4-7-11)20(18,19)9-5-8-12(13,14)15/h2-10,16H2,1H3
InChIKeyKZYQKXNAJRVKFJ-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.25
Rot. Bonds6

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

N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (PubChem CID 83068387) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
PubChem CID83068387
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCN(C1(CN)CCCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2S/c1-17(11(10-16)6-3-2-4-7-11)20(18,19)9-5-8-12(13,14)15/h2-10,16H2,1H3
InChIKeyKZYQKXNAJRVKFJ-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (CID 83068387) is N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is CN(C1(CN)CCCCC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The InChIKey is KZYQKXNAJRVKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-17(11(10-16)6-3-2-4-7-11)20(18,19)9-5-8-12(13,14)15/h2-10,16H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 83068387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).