2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

C11H23NO2S — CID 43572956

IUPAC2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCCCCSCC(=O)N(CCO)C(C)C
InChIInChI=1S/C11H23NO2S/c1-4-5-8-15-9-11(14)12(6-7-13)10(2)3/h10,13H,4-9H2,1-3H3
InChIKeyMPGVSWQHNPWPPC-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.75
Rot. Bonds8

About 2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (PubChem CID 43572956) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
PubChem CID43572956
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCCCCSCC(=O)N(CCO)C(C)C
InChIInChI=1S/C11H23NO2S/c1-4-5-8-15-9-11(14)12(6-7-13)10(2)3/h10,13H,4-9H2,1-3H3
InChIKeyMPGVSWQHNPWPPC-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.75
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 2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (CID 43572956) is 2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is CCCCSCC(=O)N(CCO)C(C)C.
What is the InChIKey of 2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The InChIKey is MPGVSWQHNPWPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-5-8-15-9-11(14)12(6-7-13)10(2)3/h10,13H,4-9H2,1-3H3.
What are the key properties of 2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide has a molecular weight of 233.38 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43572956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).