N-(3-bromo-4-methylphenyl)thiolan-3-amine

C11H14BrNS — CID 63333574

IUPACN-(3-bromo-4-methylphenyl)thiolan-3-amine
SMILESCc1ccc(NC2CCSC2)cc1Br
InChIInChI=1S/C11H14BrNS/c1-8-2-3-9(6-11(8)12)13-10-4-5-14-7-10/h2-3,6,10,13H,4-5,7H2,1H3
InChIKeyUQPSZNRFJAUYPD-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.67
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)thiolan-3-amine

N-(3-bromo-4-methylphenyl)thiolan-3-amine (PubChem CID 63333574) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)thiolan-3-amine
PubChem CID63333574
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC NameN-(3-bromo-4-methylphenyl)thiolan-3-amine
SMILESCc1ccc(NC2CCSC2)cc1Br
InChIInChI=1S/C11H14BrNS/c1-8-2-3-9(6-11(8)12)13-10-4-5-14-7-10/h2-3,6,10,13H,4-5,7H2,1H3
InChIKeyUQPSZNRFJAUYPD-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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Related Compounds

N-(3-bromo-4-methylphenyl)thian-4-amine
CID 63333541
N-(3-iodo-4-methylphenyl)thiolan-3-amine
CID 43716162
(3S)-N-(4-bromo-3-methoxyphenyl)thiolan-3-amine
CID 97358692
(3R)-N-(3,4-dimethylphenyl)thian-3-amine
CID 94885650
6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine
CID 104530611
(3S)-N-(3-bromo-4-fluorophenyl)thian-3-amine
CID 97358764
3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline
CID 63462471
N-(2-bromo-5-methylphenyl)thiolan-3-amine
CID 75525411
N-(3-bromo-4-chlorophenyl)thian-4-amine
CID 75356399
N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine
CID 63333499
3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80706050
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 65080494

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)thiolan-3-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)thiolan-3-amine (CID 63333574) is N-(3-bromo-4-methylphenyl)thiolan-3-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)thiolan-3-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)thiolan-3-amine is Cc1ccc(NC2CCSC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)thiolan-3-amine?
The InChIKey is UQPSZNRFJAUYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c1-8-2-3-9(6-11(8)12)13-10-4-5-14-7-10/h2-3,6,10,13H,4-5,7H2,1H3.
What are the key properties of N-(3-bromo-4-methylphenyl)thiolan-3-amine?
N-(3-bromo-4-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-(3-bromo-4-methylphenyl)thiolan-3-amine is sourced from PubChem (CID 63333574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).