N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide

C11H23NO2S — CID 111463255

IUPACN-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCC(O)(CC)CC
InChIInChI=1S/C11H23NO2S/c1-4-7-15-8-10(13)12-9-11(14,5-2)6-3/h14H,4-9H2,1-3H3,(H,12,13)
InChIKeyRDKVHHOUOFOBJN-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.80
Rot. Bonds8

About N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide

N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide (PubChem CID 111463255) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide
PubChem CID111463255
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCC(O)(CC)CC
InChIInChI=1S/C11H23NO2S/c1-4-7-15-8-10(13)12-9-11(14,5-2)6-3/h14H,4-9H2,1-3H3,(H,12,13)
InChIKeyRDKVHHOUOFOBJN-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide
CID 168959566
N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65112733
2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65105640
2-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112781221
N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide
CID 119569993
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide
CID 111335334
N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 65112402
4-amino-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 65106740
3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 79039842
N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide
CID 114875415
4-amino-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65106683

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide (CID 111463255) is N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide is CCCSCC(=O)NCC(O)(CC)CC.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide?
The InChIKey is RDKVHHOUOFOBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-7-15-8-10(13)12-9-11(14,5-2)6-3/h14H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide?
N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide has a molecular weight of 233.38 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide is sourced from PubChem (CID 111463255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).