2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid

C10H19NO2S — CID 139527528

IUPAC2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid
SMILESC=C(SC(C)(C)C(=O)O)N(CC)CC
InChIInChI=1S/C10H19NO2S/c1-6-11(7-2)8(3)14-10(4,5)9(12)13/h3,6-7H2,1-2,4-5H3,(H,12,13)
InChIKeyRDLIEYXCDKNUQA-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.40
Rot. Bonds6

About 2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid

2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid (PubChem CID 139527528) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid
PubChem CID139527528
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid
SMILESC=C(SC(C)(C)C(=O)O)N(CC)CC
InChIInChI=1S/C10H19NO2S/c1-6-11(7-2)8(3)14-10(4,5)9(12)13/h3,6-7H2,1-2,4-5H3,(H,12,13)
InChIKeyRDLIEYXCDKNUQA-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223331
2-[bis(prop-2-enyl)carbamothioylsulfanyl]-2-methylpropanoic acid
CID 71364444
2-(ethylcarbamoylsulfanyl)-2-methylpropanoic acid
CID 88841524
3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821512
2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid
CID 5257135
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79799061
2-(diethylamino)-2-methylbutanoic acid
CID 43803567
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
CID 21059295
CID 21059295
N,N-diethyl-2-methyl-2-methyltellanylpropanamide
CID 132503045
3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820640
2-(diethylcarbamoyl)-2-methylpentadecanoic acid
CID 101279101

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid (CID 139527528) is 2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid is C=C(SC(C)(C)C(=O)O)N(CC)CC.
What is the InChIKey of 2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid?
The InChIKey is RDLIEYXCDKNUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-6-11(7-2)8(3)14-10(4,5)9(12)13/h3,6-7H2,1-2,4-5H3,(H,12,13).
What are the key properties of 2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid?
2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid has a molecular weight of 217.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid is sourced from PubChem (CID 139527528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).