2-amino-5-cyclohexylsulfanylbenzamide

C13H18N2OS — CID 55136321

IUPAC2-amino-5-cyclohexylsulfanylbenzamide
SMILESNC(=O)c1cc(SC2CCCCC2)ccc1N
InChIInChI=1S/C13H18N2OS/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h6-9H,1-5,14H2,(H2,15,16)
InChIKeyUQIVDKZBNJZUHR-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.79
Rot. Bonds3

About 2-amino-5-cyclohexylsulfanylbenzamide

2-amino-5-cyclohexylsulfanylbenzamide (PubChem CID 55136321) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-amino-5-cyclohexylsulfanylbenzamide.

Molecular Properties

Compound Name2-amino-5-cyclohexylsulfanylbenzamide
PubChem CID55136321
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-amino-5-cyclohexylsulfanylbenzamide
SMILESNC(=O)c1cc(SC2CCCCC2)ccc1N
InChIInChI=1S/C13H18N2OS/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h6-9H,1-5,14H2,(H2,15,16)
InChIKeyUQIVDKZBNJZUHR-UHFFFAOYSA-N
XLogP2.79
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclohexylsulfanylbenzamide?
The IUPAC name of 2-amino-5-cyclohexylsulfanylbenzamide (CID 55136321) is 2-amino-5-cyclohexylsulfanylbenzamide.
What is the SMILES notation for 2-amino-5-cyclohexylsulfanylbenzamide?
The canonical SMILES for 2-amino-5-cyclohexylsulfanylbenzamide is NC(=O)c1cc(SC2CCCCC2)ccc1N.
What is the InChIKey of 2-amino-5-cyclohexylsulfanylbenzamide?
The InChIKey is UQIVDKZBNJZUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h6-9H,1-5,14H2,(H2,15,16).
What are the key properties of 2-amino-5-cyclohexylsulfanylbenzamide?
2-amino-5-cyclohexylsulfanylbenzamide has a molecular weight of 250.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclohexylsulfanylbenzamide is sourced from PubChem (CID 55136321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).