N-butyl-2-octylsulfanylacetamide

C14H29NOS — CID 4583267

IUPACN-butyl-2-octylsulfanylacetamide
SMILESCCCCCCCCSCC(=O)NCCCC
InChIInChI=1S/C14H29NOS/c1-3-5-7-8-9-10-12-17-13-14(16)15-11-6-4-2/h3-13H2,1-2H3,(H,15,16)
InChIKeyZGEVJHGGWWUOGV-UHFFFAOYSA-N
MW259.46 g/mol
LogP4.00
Rot. Bonds12

About N-butyl-2-octylsulfanylacetamide

N-butyl-2-octylsulfanylacetamide (PubChem CID 4583267) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is N-butyl-2-octylsulfanylacetamide.

Molecular Properties

Compound NameN-butyl-2-octylsulfanylacetamide
PubChem CID4583267
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN-butyl-2-octylsulfanylacetamide
SMILESCCCCCCCCSCC(=O)NCCCC
InChIInChI=1S/C14H29NOS/c1-3-5-7-8-9-10-12-17-13-14(16)15-11-6-4-2/h3-13H2,1-2H3,(H,15,16)
InChIKeyZGEVJHGGWWUOGV-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 54.00
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

N-butyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127230
2-(2-aminoethylsulfanyl)-N-pentylacetamide
CID 84556648
N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide
CID 87966580
6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide
CID 71350823
2-pentylsulfanylacetohydrazide
CID 107760927
2-amino-4-[2-(butylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 61485880
ethyl 4-[(2-butylsulfanylacetyl)amino]butanoate
CID 60625559
2-[2-(butylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 79015465
N-(3-ethylsulfanylpropyl)octadecanamide
CID 140994811
1,3-bis[(2-tetradecylsulfanylacetyl)amino]propan-2-yl 2-tetradecylsulfanylacetate
CID 10485934
N-butyl-N'-pentylpropanediamide
CID 89202031
N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide
CID 168959566

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-octylsulfanylacetamide?
The IUPAC name of N-butyl-2-octylsulfanylacetamide (CID 4583267) is N-butyl-2-octylsulfanylacetamide.
What is the SMILES notation for N-butyl-2-octylsulfanylacetamide?
The canonical SMILES for N-butyl-2-octylsulfanylacetamide is CCCCCCCCSCC(=O)NCCCC.
What is the InChIKey of N-butyl-2-octylsulfanylacetamide?
The InChIKey is ZGEVJHGGWWUOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-3-5-7-8-9-10-12-17-13-14(16)15-11-6-4-2/h3-13H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-2-octylsulfanylacetamide?
N-butyl-2-octylsulfanylacetamide has a molecular weight of 259.46 g/mol, XLogP of 4.00, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-octylsulfanylacetamide is sourced from PubChem (CID 4583267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).