2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate

C14H30N2O2S — CID 130368638

IUPAC2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate
SMILESCC(C)CC(C(=O)OCCN(C)C)C(C)SCCN
InChIInChI=1S/C14H30N2O2S/c1-11(2)10-13(12(3)19-9-6-15)14(17)18-8-7-16(4)5/h11-13H,6-10,15H2,1-5H3
InChIKeyKRRXEXPBEPTPOR-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.83
Rot. Bonds10

About 2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate

2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate (PubChem CID 130368638) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate
PubChem CID130368638
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate
SMILESCC(C)CC(C(=O)OCCN(C)C)C(C)SCCN
InChIInChI=1S/C14H30N2O2S/c1-11(2)10-13(12(3)19-9-6-15)14(17)18-8-7-16(4)5/h11-13H,6-10,15H2,1-5H3
InChIKeyKRRXEXPBEPTPOR-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethyl 2,3-dimethylbutanoate
CID 153241938
bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate
CID 174588921
2-(dimethylamino)ethyl 2-hydroxypropanoate
CID 14179203
2-(dimethylamino)ethyl 2,3-diiodopropanoate
CID 147574545
2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate
CID 147484902
1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2-bromo-4-methylpentanedioate
CID 20826091
4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
CID 170721410
2-[[2-[2-(dimethylamino)ethylsulfanyl]acetyl]-[2-(2,4-dimethylpentanoyloxy)ethyl]amino]ethyl 2,2,4-trimethylpentanoate
CID 170076305
1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2-chloro-4-methylpentanedioate
CID 90051387
diethyl (2R,3R)-2,3-bis(2-methylpropyl)butanedioate
CID 100932305
2-(dimethylamino)ethyl N,N-dimethylcarbamate
CID 15114748
2-aminoethyl (2S)-2-[bis(methylsulfanyl)amino]-4-methylpentanoate
CID 57058270

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate (CID 130368638) is 2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate is CC(C)CC(C(=O)OCCN(C)C)C(C)SCCN.
What is the InChIKey of 2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate?
The InChIKey is KRRXEXPBEPTPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-11(2)10-13(12(3)19-9-6-15)14(17)18-8-7-16(4)5/h11-13H,6-10,15H2,1-5H3.
What are the key properties of 2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate?
2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate has a molecular weight of 290.47 g/mol, XLogP of 1.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-[1-(2-aminoethylsulfanyl)ethyl]-4-methylpentanoate is sourced from PubChem (CID 130368638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).