N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline

C15H24N2O2S — CID 106128111

IUPACN-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccc(NCC2CCCC(N)C2)cc1
InChIInChI=1S/C15H24N2O2S/c1-2-20(18,19)15-8-6-14(7-9-15)17-11-12-4-3-5-13(16)10-12/h6-9,12-13,17H,2-5,10-11,16H2,1H3
InChIKeyXNNDPWPSPIAYAO-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.41
Rot. Bonds5

About N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline

N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline (PubChem CID 106128111) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline
PubChem CID106128111
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccc(NCC2CCCC(N)C2)cc1
InChIInChI=1S/C15H24N2O2S/c1-2-20(18,19)15-8-6-14(7-9-15)17-11-12-4-3-5-13(16)10-12/h6-9,12-13,17H,2-5,10-11,16H2,1H3
InChIKeyXNNDPWPSPIAYAO-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-4-ethylsulfonylaniline
CID 66006290
4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
CID 107413945
3-[(4-ethylsulfonylanilino)methyl]cyclobutan-1-ol
CID 66006142
4-ethylsulfonyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106027245
N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline
CID 114111360
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethylsulfonylaniline
CID 63899170
N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline
CID 103462508
N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 106128063
N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide
CID 106126034
4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide
CID 61012057
3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine
CID 79466034

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline (CID 106128111) is N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline is CCS(=O)(=O)c1ccc(NCC2CCCC(N)C2)cc1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline?
The InChIKey is XNNDPWPSPIAYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-20(18,19)15-8-6-14(7-9-15)17-11-12-4-3-5-13(16)10-12/h6-9,12-13,17H,2-5,10-11,16H2,1H3.
What are the key properties of N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline?
N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline is sourced from PubChem (CID 106128111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).