4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide

C15H24N2OS — CID 11277483

IUPAC4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCCCCCCS)cc1
InChIInChI=1S/C15H24N2OS/c1-17(2)14-9-7-13(8-10-14)15(18)16-11-5-3-4-6-12-19/h7-10,19H,3-6,11-12H2,1-2H3,(H,16,18)
InChIKeyXMUAFOWTSHBASP-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.97
Rot. Bonds8

About 4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide

4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide (PubChem CID 11277483) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide
PubChem CID11277483
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCCCCCCS)cc1
InChIInChI=1S/C15H24N2OS/c1-17(2)14-9-7-13(8-10-14)15(18)16-11-5-3-4-6-12-19/h7-10,19H,3-6,11-12H2,1-2H3,(H,16,18)
InChIKeyXMUAFOWTSHBASP-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide (CID 11277483) is 4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide is CN(C)c1ccc(C(=O)NCCCCCCS)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide?
The InChIKey is XMUAFOWTSHBASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-17(2)14-9-7-13(8-10-14)15(18)16-11-5-3-4-6-12-19/h7-10,19H,3-6,11-12H2,1-2H3,(H,16,18).
What are the key properties of 4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide?
4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide has a molecular weight of 280.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide is sourced from PubChem (CID 11277483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).