N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide

C11H21NO2S — CID 66115877

IUPACN-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSCCCO
InChIInChI=1S/C11H21NO2S/c1-4-12(8-10(2)3)11(14)9-15-7-5-6-13/h13H,2,4-9H2,1,3H3
InChIKeyRDHLWWIEVVCNHN-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.53
Rot. Bonds8

About N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide

N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide (PubChem CID 66115877) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
PubChem CID66115877
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSCCCO
InChIInChI=1S/C11H21NO2S/c1-4-12(8-10(2)3)11(14)9-15-7-5-6-13/h13H,2,4-9H2,1,3H3
InChIKeyRDHLWWIEVVCNHN-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide (CID 66115877) is N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CSCCCO.
What is the InChIKey of N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is RDHLWWIEVVCNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-4-12(8-10(2)3)11(14)9-15-7-5-6-13/h13H,2,4-9H2,1,3H3.
What are the key properties of N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide?
N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 231.36 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-hydroxypropylsulfanyl)-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 66115877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).