N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide

C15H24N2O2S — CID 117477808

IUPACN-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1C1(CN)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O2S/c1-17(20(2,18)19)14-9-5-4-8-13(14)15(12-16)10-6-3-7-11-15/h4-5,8-9H,3,6-7,10-12,16H2,1-2H3
InChIKeyLFIRIFHSTIABHL-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.24
Rot. Bonds4

About N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide

N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide (PubChem CID 117477808) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide
PubChem CID117477808
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1C1(CN)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O2S/c1-17(20(2,18)19)14-9-5-4-8-13(14)15(12-16)10-6-3-7-11-15/h4-5,8-9H,3,6-7,10-12,16H2,1-2H3
InChIKeyLFIRIFHSTIABHL-UHFFFAOYSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide (CID 117477808) is N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide is CN(c1ccccc1C1(CN)CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is LFIRIFHSTIABHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-17(20(2,18)19)14-9-5-4-8-13(14)15(12-16)10-6-3-7-11-15/h4-5,8-9H,3,6-7,10-12,16H2,1-2H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide?
N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 117477808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).