2-butylsulfanyl-N-pentylacetamide

C11H23NOS — CID 12660922

IUPAC2-butylsulfanyl-N-pentylacetamide
SMILESCCCCCNC(=O)CSCCCC
InChIInChI=1S/C11H23NOS/c1-3-5-7-8-12-11(13)10-14-9-6-4-2/h3-10H2,1-2H3,(H,12,13)
InChIKeyNLNJTCRHYASUBZ-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.83
Rot. Bonds9

About 2-butylsulfanyl-N-pentylacetamide

2-butylsulfanyl-N-pentylacetamide (PubChem CID 12660922) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-butylsulfanyl-N-pentylacetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-pentylacetamide
PubChem CID12660922
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-butylsulfanyl-N-pentylacetamide
SMILESCCCCCNC(=O)CSCCCC
InChIInChI=1S/C11H23NOS/c1-3-5-7-8-12-11(13)10-14-9-6-4-2/h3-10H2,1-2H3,(H,12,13)
InChIKeyNLNJTCRHYASUBZ-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propanamide, N-[2-(hexylthio)ethyl]-
CID 113635
3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide
CID 71854930
N-[3-(2-methylpropylsulfanyl)propyl]cyclobutanecarboxamide
CID 75390121
[2-(Cyclopentylamino)-2-oxoethyl]-dimethylsulfanium bromide
CID 118713942
[2-(Butylamino)-2-oxoethyl]-dimethylsulfanium bromide
CID 118713944
N-[3-(Methylsulfanyl)propyl]acetamide
CID 14296346
N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide
CID 2805079
N-(thiolan-2-yl)acetamide
CID 44558384
N,N'-Dilaurylthiodipropionamide
CID 82685
N,N'-Dihexyl thiodiglicolic acid amide
CID 588868
Propanamide, N-cyclohexyl-3-(methylthio)-
CID 10845759
S-(3-(Acetylamino)propyl) ethanethioate
CID 53997947

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-pentylacetamide?
The IUPAC name of 2-butylsulfanyl-N-pentylacetamide (CID 12660922) is 2-butylsulfanyl-N-pentylacetamide.
What is the SMILES notation for 2-butylsulfanyl-N-pentylacetamide?
The canonical SMILES for 2-butylsulfanyl-N-pentylacetamide is CCCCCNC(=O)CSCCCC.
What is the InChIKey of 2-butylsulfanyl-N-pentylacetamide?
The InChIKey is NLNJTCRHYASUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-5-7-8-12-11(13)10-14-9-6-4-2/h3-10H2,1-2H3,(H,12,13).
What are the key properties of 2-butylsulfanyl-N-pentylacetamide?
2-butylsulfanyl-N-pentylacetamide has a molecular weight of 217.38 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-pentylacetamide is sourced from PubChem (CID 12660922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).