2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide

C14H24N2O3S — CID 106335342

IUPAC2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
SMILESCC(CCc1ccc(O)cc1)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C14H24N2O3S/c1-12(15-10-11-20(18,19)16(2)3)4-5-13-6-8-14(17)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyCUVLXIKBUBKKJQ-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.19
Rot. Bonds8

About 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide

2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide (PubChem CID 106335342) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
PubChem CID106335342
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
SMILESCC(CCc1ccc(O)cc1)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C14H24N2O3S/c1-12(15-10-11-20(18,19)16(2)3)4-5-13-6-8-14(17)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyCUVLXIKBUBKKJQ-UHFFFAOYSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 114175052
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
CID 104861930
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide
CID 43310878
N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide
CID 106335163
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450
4-[4-(4-hydroxyphenyl)butan-2-ylamino]butanoic acid
CID 54920474
(2S)-4-(4-methylphenyl)-N-(2-methylsulfonylethyl)butan-2-amine
CID 97230944
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
4-[3-(4-propan-2-yloxybutylamino)butyl]phenol
CID 104862569
hydron;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;chloride
CID 54759025
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide (CID 106335342) is 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide is CC(CCc1ccc(O)cc1)NCCS(=O)(=O)N(C)C.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide?
The InChIKey is CUVLXIKBUBKKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-12(15-10-11-20(18,19)16(2)3)4-5-13-6-8-14(17)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide?
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106335342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).