3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide

C7H16N2O2S — CID 19373965

IUPAC3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide
SMILESNCCC(=O)NCCOCCS
InChIInChI=1S/C7H16N2O2S/c8-2-1-7(10)9-3-4-11-5-6-12/h12H,1-6,8H2,(H,9,10)
InChIKeyLUOZZYVJFJSBAK-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.60
Rot. Bonds7

About 3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide

3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide (PubChem CID 19373965) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide
PubChem CID19373965
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide
SMILESNCCC(=O)NCCOCCS
InChIInChI=1S/C7H16N2O2S/c8-2-1-7(10)9-3-4-11-5-6-12/h12H,1-6,8H2,(H,9,10)
InChIKeyLUOZZYVJFJSBAK-UHFFFAOYSA-N
XLogP-0.60
TPSA64.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide (CID 19373965) is 3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide is NCCC(=O)NCCOCCS.
What is the InChIKey of 3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide?
The InChIKey is LUOZZYVJFJSBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c8-2-1-7(10)9-3-4-11-5-6-12/h12H,1-6,8H2,(H,9,10).
What are the key properties of 3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide?
3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide has a molecular weight of 192.28 g/mol, XLogP of -0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide is sourced from PubChem (CID 19373965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).