4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide

C11H24N2OS — CID 23187588

IUPAC4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide
SMILESCN(C)CCCC(=O)NCCCCCS
InChIInChI=1S/C11H24N2OS/c1-13(2)9-6-7-11(14)12-8-4-3-5-10-15/h15H,3-10H2,1-2H3,(H,12,14)
InChIKeyFNRLUMRUEMATFX-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.54
Rot. Bonds9

About 4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide

4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide (PubChem CID 23187588) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide
PubChem CID23187588
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide
SMILESCN(C)CCCC(=O)NCCCCCS
InChIInChI=1S/C11H24N2OS/c1-13(2)9-6-7-11(14)12-8-4-3-5-10-15/h15H,3-10H2,1-2H3,(H,12,14)
InChIKeyFNRLUMRUEMATFX-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
CID 23187599
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-hexyl-8-sulfanyloctanamide
CID 101094845
N-(5-sulfanylpentyl)hexanamide
CID 178061899
N-pentyl-11-sulfanylundecanamide
CID 102272005
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
N-dodecyl-4-sulfanylbutanamide
CID 139637392
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
5-bromo-N-[4-(dimethylamino)butyl]pentanamide
CID 107909932

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide?
The IUPAC name of 4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide (CID 23187588) is 4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide?
The canonical SMILES for 4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide is CN(C)CCCC(=O)NCCCCCS.
What is the InChIKey of 4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide?
The InChIKey is FNRLUMRUEMATFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-13(2)9-6-7-11(14)12-8-4-3-5-10-15/h15H,3-10H2,1-2H3,(H,12,14).
What are the key properties of 4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide?
4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide has a molecular weight of 232.39 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide is sourced from PubChem (CID 23187588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).