N-(2-bromo-5-methylphenyl)thiolan-3-amine

C11H14BrNS — CID 75525411

IUPACN-(2-bromo-5-methylphenyl)thiolan-3-amine
SMILESCc1ccc(Br)c(NC2CCSC2)c1
InChIInChI=1S/C11H14BrNS/c1-8-2-3-10(12)11(6-8)13-9-4-5-14-7-9/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeyNUVVHCQXUYGFRD-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.67
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)thiolan-3-amine

N-(2-bromo-5-methylphenyl)thiolan-3-amine (PubChem CID 75525411) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)thiolan-3-amine
PubChem CID75525411
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC NameN-(2-bromo-5-methylphenyl)thiolan-3-amine
SMILESCc1ccc(Br)c(NC2CCSC2)c1
InChIInChI=1S/C11H14BrNS/c1-8-2-3-10(12)11(6-8)13-9-4-5-14-7-9/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeyNUVVHCQXUYGFRD-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)thiolan-3-amine?
The IUPAC name of N-(2-bromo-5-methylphenyl)thiolan-3-amine (CID 75525411) is N-(2-bromo-5-methylphenyl)thiolan-3-amine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)thiolan-3-amine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)thiolan-3-amine is Cc1ccc(Br)c(NC2CCSC2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)thiolan-3-amine?
The InChIKey is NUVVHCQXUYGFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c1-8-2-3-10(12)11(6-8)13-9-4-5-14-7-9/h2-3,6,9,13H,4-5,7H2,1H3.
What are the key properties of N-(2-bromo-5-methylphenyl)thiolan-3-amine?
N-(2-bromo-5-methylphenyl)thiolan-3-amine has a molecular weight of 272.21 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)thiolan-3-amine is sourced from PubChem (CID 75525411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).