5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide

C14H21N3OS — CID 114122050

IUPAC5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide
SMILESCCSC1CCCC1Nc1ccc(N)cc1C(N)=O
InChIInChI=1S/C14H21N3OS/c1-2-19-13-5-3-4-12(13)17-11-7-6-9(15)8-10(11)14(16)18/h6-8,12-13,17H,2-5,15H2,1H3,(H2,16,18)
InChIKeyXJLVCAWXNZXSLF-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.45
Rot. Bonds5

About 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide

5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide (PubChem CID 114122050) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide
PubChem CID114122050
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide
SMILESCCSC1CCCC1Nc1ccc(N)cc1C(N)=O
InChIInChI=1S/C14H21N3OS/c1-2-19-13-5-3-4-12(13)17-11-7-6-9(15)8-10(11)14(16)18/h6-8,12-13,17H,2-5,15H2,1H3,(H2,16,18)
InChIKeyXJLVCAWXNZXSLF-UHFFFAOYSA-N
XLogP2.45
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide?
The IUPAC name of 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide (CID 114122050) is 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide.
What is the SMILES notation for 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide?
The canonical SMILES for 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide is CCSC1CCCC1Nc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide?
The InChIKey is XJLVCAWXNZXSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-19-13-5-3-4-12(13)17-11-7-6-9(15)8-10(11)14(16)18/h6-8,12-13,17H,2-5,15H2,1H3,(H2,16,18).
What are the key properties of 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide?
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide has a molecular weight of 279.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide is sourced from PubChem (CID 114122050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).