N-(6-sulfanylhexyl)benzamide

C13H19NOS — CID 11447748

IUPACN-(6-sulfanylhexyl)benzamide
SMILESO=C(NCCCCCCS)c1ccccc1
InChIInChI=1S/C13H19NOS/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-16/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)
InChIKeyHCPPYAZFTICCOW-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.91
Rot. Bonds7

About N-(6-sulfanylhexyl)benzamide

N-(6-sulfanylhexyl)benzamide (PubChem CID 11447748) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(6-sulfanylhexyl)benzamide.

Molecular Properties

Compound NameN-(6-sulfanylhexyl)benzamide
PubChem CID11447748
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(6-sulfanylhexyl)benzamide
SMILESO=C(NCCCCCCS)c1ccccc1
InChIInChI=1S/C13H19NOS/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-16/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)
InChIKeyHCPPYAZFTICCOW-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of N-(6-sulfanylhexyl)benzamide?
The IUPAC name of N-(6-sulfanylhexyl)benzamide (CID 11447748) is N-(6-sulfanylhexyl)benzamide.
What is the SMILES notation for N-(6-sulfanylhexyl)benzamide?
The canonical SMILES for N-(6-sulfanylhexyl)benzamide is O=C(NCCCCCCS)c1ccccc1.
What is the InChIKey of N-(6-sulfanylhexyl)benzamide?
The InChIKey is HCPPYAZFTICCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-16/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15).
What are the key properties of N-(6-sulfanylhexyl)benzamide?
N-(6-sulfanylhexyl)benzamide has a molecular weight of 237.37 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-sulfanylhexyl)benzamide is sourced from PubChem (CID 11447748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).