2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

C11H23NO2S — CID 79381119

IUPAC2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCCCCSCC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C11H23NO2S/c1-5-6-7-15-8-10(13)12(4)9-11(2,3)14/h14H,5-9H2,1-4H3
InChIKeySKZQBMVCCPDZMD-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.75
Rot. Bonds7

About 2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (PubChem CID 79381119) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
PubChem CID79381119
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCCCCSCC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C11H23NO2S/c1-5-6-7-15-8-10(13)12(4)9-11(2,3)14/h14H,5-9H2,1-4H3
InChIKeySKZQBMVCCPDZMD-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

1-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 53610872
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109886763
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109886818
N-(2-hydroxyethyl)-N-[3-(2-hydroxyethylsulfanyl)propyl]acetamide
CID 90224511
2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide
CID 146586878
N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide
CID 174332037
N-(2-hydroxyethyl)-N-methyl-2-propylsulfanylacetamide
CID 13954332
2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
CID 60740176
2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60740803
2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide
CID 61234329
2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide
CID 61236004
2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide
CID 62332881

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The IUPAC name of 2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (CID 79381119) is 2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.
What is the SMILES notation for 2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The canonical SMILES for 2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is CCCCSCC(=O)N(C)CC(C)(C)O.
What is the InChIKey of 2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The InChIKey is SKZQBMVCCPDZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-6-7-15-8-10(13)12(4)9-11(2,3)14/h14H,5-9H2,1-4H3.
What are the key properties of 2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide has a molecular weight of 233.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is sourced from PubChem (CID 79381119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).