2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide

C8H18N2O2S — CID 43117416

IUPAC2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)SCCN
InChIInChI=1S/C8H18N2O2S/c1-7(13-6-3-9)8(11)10-4-5-12-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyFECZNOPECYUVRQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.17
Rot. Bonds7

About 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide

2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide (PubChem CID 43117416) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide
PubChem CID43117416
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)SCCN
InChIInChI=1S/C8H18N2O2S/c1-7(13-6-3-9)8(11)10-4-5-12-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyFECZNOPECYUVRQ-UHFFFAOYSA-N
XLogP-0.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.17
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

1,4-Dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione
CID 11807484
2-cyclopentylsulfanyl-N-(2-methoxyethyl)acetamide
CID 52141582
mPEG-Thiol
CID 107027119
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 78873883
3-ethylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 78886853
N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
CID 116615755
N-(2-propoxyethyl)-3-sulfanylpropanamide
CID 2734193
N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide
CID 5058591
N-(2-methoxyethyl)-2-methylsulfanylacetamide
CID 19001713
5,9-Dioxo-1-oxa-7-thia-4,10-diazacyclododecane
CID 19866789
N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide
CID 20558492
N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide
CID 20731400

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide (CID 43117416) is 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)SCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is FECZNOPECYUVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(13-6-3-9)8(11)10-4-5-12-2/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide?
2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 206.31 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43117416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).