3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide

C11H22N2O4S — CID 114263756

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide
SMILESCCN(CCOCCO)C(=O)CCSCC(N)=O
InChIInChI=1S/C11H22N2O4S/c1-2-13(4-6-17-7-5-14)11(16)3-8-18-9-10(12)15/h14H,2-9H2,1H3,(H2,12,15)
InChIKeyRMSKULMILNENNZ-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.55
Rot. Bonds11

About 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide (PubChem CID 114263756) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide
PubChem CID114263756
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide
SMILESCCN(CCOCCO)C(=O)CCSCC(N)=O
InChIInChI=1S/C11H22N2O4S/c1-2-13(4-6-17-7-5-14)11(16)3-8-18-9-10(12)15/h14H,2-9H2,1H3,(H2,12,15)
InChIKeyRMSKULMILNENNZ-UHFFFAOYSA-N
XLogP-0.55
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771223
3-(2-amino-2-oxoethyl)sulfanyl-N,N-diethylpropanamide
CID 60734352
N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 114263827
N,N-bis[2-(2-hydroxyethoxy)ethyl]propanamide
CID 91261493
N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane
CID 176933448
N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
CID 21295617
3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
CID 61446601
4-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-4-oxobutanoic acid
CID 3642366
N-(2-aminoethyl)-N-ethyl-3-propoxypropanamide
CID 62688574
3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 23451991
3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102684941
5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid
CID 4648464

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide (CID 114263756) is 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide is CCN(CCOCCO)C(=O)CCSCC(N)=O.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The InChIKey is RMSKULMILNENNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-2-13(4-6-17-7-5-14)11(16)3-8-18-9-10(12)15/h14H,2-9H2,1H3,(H2,12,15).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide has a molecular weight of 278.37 g/mol, XLogP of -0.55, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide is sourced from PubChem (CID 114263756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).