N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide

C10H21NO3S — CID 59574039

IUPACN-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide
SMILESCCOCCOCCNC(=O)CCSC
InChIInChI=1S/C10H21NO3S/c1-3-13-7-8-14-6-5-11-10(12)4-9-15-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyMWCJIECNASOMRJ-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.91
Rot. Bonds10

About N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide

N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide (PubChem CID 59574039) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide
PubChem CID59574039
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide
SMILESCCOCCOCCNC(=O)CCSC
InChIInChI=1S/C10H21NO3S/c1-3-13-7-8-14-6-5-11-10(12)4-9-15-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyMWCJIECNASOMRJ-UHFFFAOYSA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
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
N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanyl-propanamide
CID 164575858
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-propoxyethyl)-3-sulfanylpropanamide
CID 2734193
N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide
CID 20731400
2-(3-Methylsulfanylpropanoylamino)ethyl 3-ethylsulfanylpropanoate
CID 20768533
S-[1-[2-(2-hydroxyethoxy)ethylamino]-1-oxopropan-2-yl] ethanethioate
CID 22377131
S-[(2S)-1-[2-(2-hydroxyethoxy)ethylamino]-1-oxopropan-2-yl] ethanethioate
CID 57192967
(2-Methylsulfanylacetyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]azanium
CID 57871929
2-methylsulfanyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]acetamide
CID 57871930

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide (CID 59574039) is N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide is CCOCCOCCNC(=O)CCSC.
What is the InChIKey of N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide?
The InChIKey is MWCJIECNASOMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-13-7-8-14-6-5-11-10(12)4-9-15-2/h3-9H2,1-2H3,(H,11,12).
What are the key properties of N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide?
N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide has a molecular weight of 235.35 g/mol, XLogP of 0.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 59574039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).