2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid

C14H28N2O3S — CID 155392924

IUPAC2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid
SMILESC=CS(=O)CCN(CCC)CCN(CCC)CC(=O)O
InChIInChI=1S/C14H28N2O3S/c1-4-7-15(11-12-20(19)6-3)9-10-16(8-5-2)13-14(17)18/h6H,3-5,7-13H2,1-2H3,(H,17,18)
InChIKeyQZDLOTIAMGUUCO-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.39
Rot. Bonds13

About 2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid

2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid (PubChem CID 155392924) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid
PubChem CID155392924
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid
SMILESC=CS(=O)CCN(CCC)CCN(CCC)CC(=O)O
InChIInChI=1S/C14H28N2O3S/c1-4-7-15(11-12-20(19)6-3)9-10-16(8-5-2)13-14(17)18/h6H,3-5,7-13H2,1-2H3,(H,17,18)
InChIKeyQZDLOTIAMGUUCO-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid
CID 156737158
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[2-methylidenebutyl(propyl)amino]acetic acid
CID 66046219
2-[2-cyanoethyl(propyl)amino]acetic acid
CID 62962287
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid
CID 88770779
2-[2-propan-2-ylsulfonylethyl(propyl)amino]acetic acid
CID 104589670

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid?
The IUPAC name of 2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid (CID 155392924) is 2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid?
The canonical SMILES for 2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid is C=CS(=O)CCN(CCC)CCN(CCC)CC(=O)O.
What is the InChIKey of 2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid?
The InChIKey is QZDLOTIAMGUUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-4-7-15(11-12-20(19)6-3)9-10-16(8-5-2)13-14(17)18/h6H,3-5,7-13H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid?
2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid has a molecular weight of 304.46 g/mol, XLogP of 1.39, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-ethenylsulfinylethyl(propyl)amino]ethyl-propylamino]acetic acid is sourced from PubChem (CID 155392924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).