N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline

C15H24N2O2S — CID 63760205

IUPACN-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NC1(CN)CCCCC1
InChIInChI=1S/C15H24N2O2S/c1-2-20(18,19)14-9-5-4-8-13(14)17-15(12-16)10-6-3-7-11-15/h4-5,8-9,17H,2-3,6-7,10-12,16H2,1H3
InChIKeyQKXWRHXBHYNHOC-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.55
Rot. Bonds5

About N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline

N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline (PubChem CID 63760205) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline
PubChem CID63760205
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NC1(CN)CCCCC1
InChIInChI=1S/C15H24N2O2S/c1-2-20(18,19)14-9-5-4-8-13(14)17-15(12-16)10-6-3-7-11-15/h4-5,8-9,17H,2-3,6-7,10-12,16H2,1H3
InChIKeyQKXWRHXBHYNHOC-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline
CID 63761232
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline
CID 63760412
1-(2-ethylsulfonylanilino)cyclobutane-1-carboxylic acid
CID 81164243
2-[[1-(aminomethyl)cyclopentyl]amino]benzamide
CID 63887827
N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline
CID 65384494
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
N-[1-(aminomethyl)cyclopropyl]-2-methylaniline
CID 106661294
N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline
CID 55243938
2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline
CID 102846486
N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide
CID 28971038
2-[1-(2-methylsulfonylanilino)cyclobutyl]acetic acid
CID 79845618
2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
CID 43453587

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline (CID 63760205) is N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline is CCS(=O)(=O)c1ccccc1NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline?
The InChIKey is QKXWRHXBHYNHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-20(18,19)14-9-5-4-8-13(14)17-15(12-16)10-6-3-7-11-15/h4-5,8-9,17H,2-3,6-7,10-12,16H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline?
N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline is sourced from PubChem (CID 63760205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).