2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol

C16H28N2O3S — CID 70258694

IUPAC2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol
SMILESCN(CCCCCCNCCO)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H28N2O3S/c1-18(13-6-4-3-5-11-17-12-14-19)15-7-9-16(10-8-15)22(2,20)21/h7-10,17,19H,3-6,11-14H2,1-2H3
InChIKeyPFSLDDSBMBIENA-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.67
Rot. Bonds11

About 2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol

2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol (PubChem CID 70258694) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol.

Molecular Properties

Compound Name2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol
PubChem CID70258694
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol
SMILESCN(CCCCCCNCCO)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H28N2O3S/c1-18(13-6-4-3-5-11-17-12-14-19)15-7-9-16(10-8-15)22(2,20)21/h7-10,17,19H,3-6,11-14H2,1-2H3
InChIKeyPFSLDDSBMBIENA-UHFFFAOYSA-N
XLogP1.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-(N-methylanilino)hexylamino]ethanol
CID 70247662
5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203360
N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 62593739
6-[2-(N-methylanilino)ethylamino]hexan-1-ol
CID 70258646
N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]heptane-1,7-diamine;tetrahydrochloride
CID 14791342
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
6-[N-(6-hydroxyhexyl)-4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]hexan-1-ol
CID 54060983
N',N'-dimethyl-N-[2-(4-methylsulfonylphenyl)sulfanylethyl]propane-1,3-diamine
CID 63238894
3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61145734
N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 62434751
N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434760
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910

Frequently Asked Questions

What is the IUPAC name of 2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol?
The IUPAC name of 2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol (CID 70258694) is 2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol.
What is the SMILES notation for 2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol?
The canonical SMILES for 2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol is CN(CCCCCCNCCO)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol?
The InChIKey is PFSLDDSBMBIENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-18(13-6-4-3-5-11-17-12-14-19)15-7-9-16(10-8-15)22(2,20)21/h7-10,17,19H,3-6,11-14H2,1-2H3.
What are the key properties of 2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol?
2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol has a molecular weight of 328.48 g/mol, XLogP of 1.67, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol is sourced from PubChem (CID 70258694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).