N-dodecyl-4-sulfanylbutanamide

C16H33NOS — CID 139637392

IUPACN-dodecyl-4-sulfanylbutanamide
SMILESCCCCCCCCCCCCNC(=O)CCCS
InChIInChI=1S/C16H33NOS/c1-2-3-4-5-6-7-8-9-10-11-14-17-16(18)13-12-15-19/h19H,2-15H2,1H3,(H,17,18)
InChIKeyOZLUHQKYCCVDRJ-UHFFFAOYSA-N
MW287.51 g/mol
LogP4.73
Rot. Bonds14

About N-dodecyl-4-sulfanylbutanamide

N-dodecyl-4-sulfanylbutanamide (PubChem CID 139637392) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is N-dodecyl-4-sulfanylbutanamide.

Molecular Properties

Compound NameN-dodecyl-4-sulfanylbutanamide
PubChem CID139637392
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC NameN-dodecyl-4-sulfanylbutanamide
SMILESCCCCCCCCCCCCNC(=O)CCCS
InChIInChI=1S/C16H33NOS/c1-2-3-4-5-6-7-8-9-10-11-14-17-16(18)13-12-15-19/h19H,2-15H2,1H3,(H,17,18)
InChIKeyOZLUHQKYCCVDRJ-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-4-sulfanylbutanamide
CID 88984184
N-pentyl-11-sulfanylundecanamide
CID 102272005
N-(5-sulfanylpentyl)hexanamide
CID 178061899
N-hexyl-8-sulfanyloctanamide
CID 101094845
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-tetradecylpentanamide
CID 87172595
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-4-sulfanylbutanamide?
The IUPAC name of N-dodecyl-4-sulfanylbutanamide (CID 139637392) is N-dodecyl-4-sulfanylbutanamide.
What is the SMILES notation for N-dodecyl-4-sulfanylbutanamide?
The canonical SMILES for N-dodecyl-4-sulfanylbutanamide is CCCCCCCCCCCCNC(=O)CCCS.
What is the InChIKey of N-dodecyl-4-sulfanylbutanamide?
The InChIKey is OZLUHQKYCCVDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NOS/c1-2-3-4-5-6-7-8-9-10-11-14-17-16(18)13-12-15-19/h19H,2-15H2,1H3,(H,17,18).
What are the key properties of N-dodecyl-4-sulfanylbutanamide?
N-dodecyl-4-sulfanylbutanamide has a molecular weight of 287.51 g/mol, XLogP of 4.73, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-4-sulfanylbutanamide is sourced from PubChem (CID 139637392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).