5-amino-2-bromo-N-(thiolan-3-yl)benzamide

C11H13BrN2OS — CID 103062225

IUPAC5-amino-2-bromo-N-(thiolan-3-yl)benzamide
SMILESNc1ccc(Br)c(C(=O)NC2CCSC2)c1
InChIInChI=1S/C11H13BrN2OS/c12-10-2-1-7(13)5-9(10)11(15)14-8-3-4-16-6-8/h1-2,5,8H,3-4,6,13H2,(H,14,15)
InChIKeyPJDPZMGYZUKLRP-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.27
Rot. Bonds2

About 5-amino-2-bromo-N-(thiolan-3-yl)benzamide

5-amino-2-bromo-N-(thiolan-3-yl)benzamide (PubChem CID 103062225) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(thiolan-3-yl)benzamide
PubChem CID103062225
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name5-amino-2-bromo-N-(thiolan-3-yl)benzamide
SMILESNc1ccc(Br)c(C(=O)NC2CCSC2)c1
InChIInChI=1S/C11H13BrN2OS/c12-10-2-1-7(13)5-9(10)11(15)14-8-3-4-16-6-8/h1-2,5,8H,3-4,6,13H2,(H,14,15)
InChIKeyPJDPZMGYZUKLRP-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(thiolan-3-yl)benzamide
CID 103062189
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064661
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
N-(2-adamantyl)-5-amino-2-bromobenzamide
CID 115297133
5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
CID 62398473
2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064706
5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 115297157
2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115297377
5-bromo-2-nitro-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 114194367
4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide
CID 103062224
2,3-dihydroxy-N-(thiolan-3-yl)benzamide
CID 103063299

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(thiolan-3-yl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(thiolan-3-yl)benzamide (CID 103062225) is 5-amino-2-bromo-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(thiolan-3-yl)benzamide is Nc1ccc(Br)c(C(=O)NC2CCSC2)c1.
What is the InChIKey of 5-amino-2-bromo-N-(thiolan-3-yl)benzamide?
The InChIKey is PJDPZMGYZUKLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c12-10-2-1-7(13)5-9(10)11(15)14-8-3-4-16-6-8/h1-2,5,8H,3-4,6,13H2,(H,14,15).
What are the key properties of 5-amino-2-bromo-N-(thiolan-3-yl)benzamide?
5-amino-2-bromo-N-(thiolan-3-yl)benzamide has a molecular weight of 301.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 103062225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).