2-dodecylsulfanylpentanamide

C17H35NOS — CID 89267031

IUPAC2-dodecylsulfanylpentanamide
SMILESCCCCCCCCCCCCSC(CCC)C(N)=O
InChIInChI=1S/C17H35NOS/c1-3-5-6-7-8-9-10-11-12-13-15-20-16(14-4-2)17(18)19/h16H,3-15H2,1-2H3,(H2,18,19)
InChIKeyVZBQTIBDCAGDMC-UHFFFAOYSA-N
MW301.54 g/mol
LogP5.29
Rot. Bonds15

About 2-dodecylsulfanylpentanamide

2-dodecylsulfanylpentanamide (PubChem CID 89267031) has the molecular formula C17H35NOS and a molecular weight of 301.54 g/mol. Its IUPAC name is 2-dodecylsulfanylpentanamide.

Molecular Properties

Compound Name2-dodecylsulfanylpentanamide
PubChem CID89267031
Molecular FormulaC17H35NOS
Molecular Weight301.54 g/mol
Exact Mass301.24
IUPAC Name2-dodecylsulfanylpentanamide
SMILESCCCCCCCCCCCCSC(CCC)C(N)=O
InChIInChI=1S/C17H35NOS/c1-3-5-6-7-8-9-10-11-12-13-15-20-16(14-4-2)17(18)19/h16H,3-15H2,1-2H3,(H2,18,19)
InChIKeyVZBQTIBDCAGDMC-UHFFFAOYSA-N
XLogP5.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.54
LogP ≤ 55.29
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

2-dodecylsulfanylhexanoic acid
CID 89266983
2-hexadecylsulfanylhexanoic acid
CID 58722589
2-hexylsulfanyldecanoyl chloride
CID 19027841
2-(7,7-difluoroheptylsulfanyl)pentanoic acid
CID 87341983
2-undecylsulfanylbutanoic acid
CID 175534549
1-(1-dodecylsulfanylbutylsulfanyl)dodecane
CID 21446623
ethyl 2-(3-aminopropylsulfanyl)pentanoate
CID 83038657
ethyl 2-(6,6-difluoroheptylsulfanyl)pentanoate
CID 87341093
2-methylpropyl 2-(6,6-difluorohexylsulfanyl)pentanoate
CID 87340823
methyl 2-(7,7,7-trifluoroheptylsulfanyl)pentanoate
CID 87340963
(2S)-2-decylsulfanylbutanedioic acid
CID 124527850
2-hexyloctanamide
CID 87302701

Frequently Asked Questions

What is the IUPAC name of 2-dodecylsulfanylpentanamide?
The IUPAC name of 2-dodecylsulfanylpentanamide (CID 89267031) is 2-dodecylsulfanylpentanamide.
What is the SMILES notation for 2-dodecylsulfanylpentanamide?
The canonical SMILES for 2-dodecylsulfanylpentanamide is CCCCCCCCCCCCSC(CCC)C(N)=O.
What is the InChIKey of 2-dodecylsulfanylpentanamide?
The InChIKey is VZBQTIBDCAGDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NOS/c1-3-5-6-7-8-9-10-11-12-13-15-20-16(14-4-2)17(18)19/h16H,3-15H2,1-2H3,(H2,18,19).
What are the key properties of 2-dodecylsulfanylpentanamide?
2-dodecylsulfanylpentanamide has a molecular weight of 301.54 g/mol, XLogP of 5.29, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylsulfanylpentanamide is sourced from PubChem (CID 89267031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).