N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide

C9H18N2O3S — CID 107034705

IUPACN-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
SMILESCOCCNC(=O)CCNC(=O)CCS
InChIInChI=1S/C9H18N2O3S/c1-14-6-5-11-8(12)2-4-10-9(13)3-7-15/h15H,2-7H2,1H3,(H,10,13)(H,11,12)
InChIKeyRRUINTKTEAEQRY-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.42
Rot. Bonds8

About N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide

N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide (PubChem CID 107034705) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
PubChem CID107034705
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
SMILESCOCCNC(=O)CCNC(=O)CCS
InChIInChI=1S/C9H18N2O3S/c1-14-6-5-11-8(12)2-4-10-9(13)3-7-15/h15H,2-7H2,1H3,(H,10,13)(H,11,12)
InChIKeyRRUINTKTEAEQRY-UHFFFAOYSA-N
XLogP-0.42
TPSA67.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.42
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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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
CID 107027119
N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide
CID 162213773
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 101361634
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769839
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
3-(diethylcarbamoylamino)-N-(2-methoxyethyl)propanamide
CID 113226661
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
CID 71381103

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide (CID 107034705) is N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide is COCCNC(=O)CCNC(=O)CCS.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide?
The InChIKey is RRUINTKTEAEQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-14-6-5-11-8(12)2-4-10-9(13)3-7-15/h15H,2-7H2,1H3,(H,10,13)(H,11,12).
What are the key properties of N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide?
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide has a molecular weight of 234.32 g/mol, XLogP of -0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide is sourced from PubChem (CID 107034705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).