N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide

C8H17NO2S — CID 126605296

IUPACN-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide
SMILESCCN(C)C(=O)CCSCCO
InChIInChI=1S/C8H17NO2S/c1-3-9(2)8(11)4-6-12-7-5-10/h10H,3-7H2,1-2H3
InChIKeyBCVYTVCTMSHZFL-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.58
Rot. Bonds6

About N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide

N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide (PubChem CID 126605296) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide
PubChem CID126605296
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide
SMILESCCN(C)C(=O)CCSCCO
InChIInChI=1S/C8H17NO2S/c1-3-9(2)8(11)4-6-12-7-5-10/h10H,3-7H2,1-2H3
InChIKeyBCVYTVCTMSHZFL-UHFFFAOYSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide?
The IUPAC name of N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide (CID 126605296) is N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide.
What is the SMILES notation for N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide?
The canonical SMILES for N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide is CCN(C)C(=O)CCSCCO.
What is the InChIKey of N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide?
The InChIKey is BCVYTVCTMSHZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-9(2)8(11)4-6-12-7-5-10/h10H,3-7H2,1-2H3.
What are the key properties of N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide?
N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide has a molecular weight of 191.30 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide is sourced from PubChem (CID 126605296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).