N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine

C11H13Cl2NS — CID 79942146

IUPACN-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
SMILESCC1CC(Nc2cc(Cl)ccc2Cl)CS1
InChIInChI=1S/C11H13Cl2NS/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
InChIKeyFCCDRKNFMSEVLM-UHFFFAOYSA-N
MW262.20 g/mol
LogP4.30
Rot. Bonds2

About N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine

N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine (PubChem CID 79942146) has the molecular formula C11H13Cl2NS and a molecular weight of 262.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
PubChem CID79942146
Molecular FormulaC11H13Cl2NS
Molecular Weight262.20 g/mol
Exact Mass261.01
IUPAC NameN-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
SMILESCC1CC(Nc2cc(Cl)ccc2Cl)CS1
InChIInChI=1S/C11H13Cl2NS/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
InChIKeyFCCDRKNFMSEVLM-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine
CID 79949965
N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941779
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiolan-3-amine
CID 79942240
5-methyl-N-(2,3,4-trifluorophenyl)thiolan-3-amine
CID 79941681
2,5-dichloro-N-(3-methoxycyclobutyl)aniline
CID 106821242
2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol
CID 107678851
2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63418656
N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine
CID 79942337
N-(4-chloro-3-nitrophenyl)-5-methylthiolan-3-amine
CID 79942460
2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43632803
N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine
CID 79941633
5-methyl-N-(3,4,5-trifluorophenyl)thiolan-3-amine
CID 79949375

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine (CID 79942146) is N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine is CC1CC(Nc2cc(Cl)ccc2Cl)CS1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine?
The InChIKey is FCCDRKNFMSEVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NS/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-(2,5-dichlorophenyl)-5-methylthiolan-3-amine?
N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine has a molecular weight of 262.20 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine is sourced from PubChem (CID 79942146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).