N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline

C16H26N2O2S — CID 63760412

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NC1(CN)CCCC(C)C1
InChIInChI=1S/C16H26N2O2S/c1-3-21(19,20)15-9-5-4-8-14(15)18-16(12-17)10-6-7-13(2)11-16/h4-5,8-9,13,18H,3,6-7,10-12,17H2,1-2H3
InChIKeyIKGFXGSOPRZUIM-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline

N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline (PubChem CID 63760412) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline
PubChem CID63760412
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NC1(CN)CCCC(C)C1
InChIInChI=1S/C16H26N2O2S/c1-3-21(19,20)15-9-5-4-8-14(15)18-16(12-17)10-6-7-13(2)11-16/h4-5,8-9,13,18H,3,6-7,10-12,17H2,1-2H3
InChIKeyIKGFXGSOPRZUIM-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline
CID 63760205
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylsulfonylaniline
CID 65028605
N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline
CID 63761232
4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
CID 63759832
N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline
CID 65378135
1-(2-ethylsulfonylanilino)cyclobutane-1-carboxylic acid
CID 81164243
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine
CID 116783775
N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine
CID 63761826
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline
CID 107429092
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide
CID 63754045

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline (CID 63760412) is N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline is CCS(=O)(=O)c1ccccc1NC1(CN)CCCC(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline?
The InChIKey is IKGFXGSOPRZUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-21(19,20)15-9-5-4-8-14(15)18-16(12-17)10-6-7-13(2)11-16/h4-5,8-9,13,18H,3,6-7,10-12,17H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline?
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline has a molecular weight of 310.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline is sourced from PubChem (CID 63760412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).