ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide

C9H21NO2S — CID 171646723

IUPACethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide
SMILESCC.COCCNC(=O)CCSC
InChIInChI=1S/C7H15NO2S.C2H6/c1-10-5-4-8-7(9)3-6-11-2;1-2/h3-6H2,1-2H3,(H,8,9);1-2H3
InChIKeyHWTUMXXSGDTMNZ-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.53
Rot. Bonds6

About ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide

ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide (PubChem CID 171646723) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound Nameethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide
PubChem CID171646723
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Nameethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide
SMILESCC.COCCNC(=O)CCSC
InChIInChI=1S/C7H15NO2S.C2H6/c1-10-5-4-8-7(9)3-6-11-2;1-2/h3-6H2,1-2H3,(H,8,9);1-2H3
InChIKeyHWTUMXXSGDTMNZ-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentylsulfanyl-N-(2-methoxyethyl)acetamide
CID 52141582
mPEG-Thiol
CID 107027119
O,N-Diacetylmethioninol
CID 129647059
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 78873883
3-ethylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 78886853
2-propylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 78894174
N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
CID 116615755
N-(2-propoxyethyl)-3-sulfanylpropanamide
CID 2734193
N-(2-methoxyethyl)-2-methylsulfanylacetamide
CID 19001713
N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide
CID 20731400
2-(3-Methylsulfanylpropanoylamino)ethyl 3-ethylsulfanylpropanoate
CID 20768533
3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide
CID 21299924

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide?
The IUPAC name of ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide (CID 171646723) is ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide?
The canonical SMILES for ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide is CC.COCCNC(=O)CCSC.
What is the InChIKey of ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide?
The InChIKey is HWTUMXXSGDTMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.C2H6/c1-10-5-4-8-7(9)3-6-11-2;1-2/h3-6H2,1-2H3,(H,8,9);1-2H3.
What are the key properties of ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide?
ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide has a molecular weight of 207.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methoxyethyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 171646723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).