N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine

C11H13BrClNS — CID 79949965

IUPACN-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine
SMILESCC1CC(Nc2cc(Br)ccc2Cl)CS1
InChIInChI=1S/C11H13BrClNS/c1-7-4-9(6-15-7)14-11-5-8(12)2-3-10(11)13/h2-3,5,7,9,14H,4,6H2,1H3
InChIKeyCZLMMQPZKVTXPS-UHFFFAOYSA-N
MW306.66 g/mol
LogP4.41
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine

N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine (PubChem CID 79949965) has the molecular formula C11H13BrClNS and a molecular weight of 306.66 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine
PubChem CID79949965
Molecular FormulaC11H13BrClNS
Molecular Weight306.66 g/mol
Exact Mass304.96
IUPAC NameN-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine
SMILESCC1CC(Nc2cc(Br)ccc2Cl)CS1
InChIInChI=1S/C11H13BrClNS/c1-7-4-9(6-15-7)14-11-5-8(12)2-3-10(11)13/h2-3,5,7,9,14H,4,6H2,1H3
InChIKeyCZLMMQPZKVTXPS-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.66
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
CID 79942146
N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine
CID 79941633
N-(5-bromo-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79949843
N-(5-bromo-2-chlorophenyl)thietan-3-amine
CID 130870688
5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline
CID 64744650
N-(2-chloro-5-nitrophenyl)-5-methylthiolan-3-amine
CID 79942364
N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466260
N-(5-bromo-2-chlorophenyl)cycloheptanamine
CID 63477399
N-(5-bromo-2-chlorophenyl)thian-3-amine
CID 62913384
3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine
CID 79461483
4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine
CID 79741139
N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941779

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine (CID 79949965) is N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine is CC1CC(Nc2cc(Br)ccc2Cl)CS1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine?
The InChIKey is CZLMMQPZKVTXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNS/c1-7-4-9(6-15-7)14-11-5-8(12)2-3-10(11)13/h2-3,5,7,9,14H,4,6H2,1H3.
What are the key properties of N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine?
N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine has a molecular weight of 306.66 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine is sourced from PubChem (CID 79949965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).