N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide

C10H22N2O2S — CID 90738689

IUPACN-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide
SMILESCCNCCOCCNC(=O)CCSC
InChIInChI=1S/C10H22N2O2S/c1-3-11-5-7-14-8-6-12-10(13)4-9-15-2/h11H,3-9H2,1-2H3,(H,12,13)
InChIKeyHPGBOCVGQFQTCS-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.48
Rot. Bonds10

About N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide

N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide (PubChem CID 90738689) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide
PubChem CID90738689
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide
SMILESCCNCCOCCNC(=O)CCSC
InChIInChI=1S/C10H22N2O2S/c1-3-11-5-7-14-8-6-12-10(13)4-9-15-2/h11H,3-9H2,1-2H3,(H,12,13)
InChIKeyHPGBOCVGQFQTCS-UHFFFAOYSA-N
XLogP0.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentylsulfanyl-N-(2-methoxyethyl)acetamide
CID 52141582
mPEG-Thiol
CID 107027119
O,N-Diacetylmethioninol
CID 129647059
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 78873883
3-ethylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 78886853
2-propylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 78894174
N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
CID 116615755
N-(2-propoxyethyl)-3-sulfanylpropanamide
CID 2734193
4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide
CID 19373946
3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide
CID 19373965
5,9-Dioxo-1-oxa-7-thia-4,10-diazacyclododecane
CID 19866789
N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide
CID 20731400

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide (CID 90738689) is N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide is CCNCCOCCNC(=O)CCSC.
What is the InChIKey of N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide?
The InChIKey is HPGBOCVGQFQTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-11-5-7-14-8-6-12-10(13)4-9-15-2/h11H,3-9H2,1-2H3,(H,12,13).
What are the key properties of N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide?
N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide has a molecular weight of 234.36 g/mol, XLogP of 0.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 90738689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).