N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide

C8H17NO3S — CID 107027119

IUPACN-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
SMILESCOCCOCCNC(=O)CCS
InChIInChI=1S/C8H17NO3S/c1-11-5-6-12-4-3-9-8(10)2-7-13/h13H,2-7H2,1H3,(H,9,10)
InChIKeyPTGCODCOYHDVPF-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.09
Rot. Bonds8

About N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide

N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide (PubChem CID 107027119) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
PubChem CID107027119
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
SMILESCOCCOCCNC(=O)CCS
InChIInChI=1S/C8H17NO3S/c1-11-5-6-12-4-3-9-8(10)2-7-13/h13H,2-7H2,1H3,(H,9,10)
InChIKeyPTGCODCOYHDVPF-UHFFFAOYSA-N
XLogP0.09
TPSA47.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.09
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'}

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Related Compounds

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 101361634
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
CID 107034705
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
CID 71381103
N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
CID 57182546
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 88982905
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide
CID 162213773
N-[2-(2-methoxyethoxy)ethyl]-6,8-bis(sulfanyl)octanamide
CID 102100758
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N'-[2-[2-[[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]butanediamide
CID 50942114
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide (CID 107027119) is N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide is COCCOCCNC(=O)CCS.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide?
The InChIKey is PTGCODCOYHDVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-11-5-6-12-4-3-9-8(10)2-7-13/h13H,2-7H2,1H3,(H,9,10).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide?
N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide has a molecular weight of 207.29 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 107027119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).