N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide

C9H17NO3S — CID 162213773

IUPACN-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide
SMILESCOCCNC(=O)CCC(=O)CCS
InChIInChI=1S/C9H17NO3S/c1-13-6-5-10-9(12)3-2-8(11)4-7-14/h14H,2-7H2,1H3,(H,10,12)
InChIKeyNJKWGPVSHFRHPS-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.42
Rot. Bonds8

About N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide

N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide (PubChem CID 162213773) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide
PubChem CID162213773
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide
SMILESCOCCNC(=O)CCC(=O)CCS
InChIInChI=1S/C9H17NO3S/c1-13-6-5-10-9(12)3-2-8(11)4-7-14/h14H,2-7H2,1H3,(H,10,12)
InChIKeyNJKWGPVSHFRHPS-UHFFFAOYSA-N
XLogP0.42
TPSA55.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
CID 107034705
N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
CID 107027119
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 101361634
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
CID 71381103
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769839
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide?
The IUPAC name of N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide (CID 162213773) is N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide?
The canonical SMILES for N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide is COCCNC(=O)CCC(=O)CCS.
What is the InChIKey of N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide?
The InChIKey is NJKWGPVSHFRHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-13-6-5-10-9(12)3-2-8(11)4-7-14/h14H,2-7H2,1H3,(H,10,12).
What are the key properties of N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide?
N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide has a molecular weight of 219.31 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide is sourced from PubChem (CID 162213773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).