[2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine

C12H15Cl2NS — CID 107310660

IUPAC[2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine
SMILESNCC1(Cc2cccc(Cl)c2Cl)CCCS1
InChIInChI=1S/C12H15Cl2NS/c13-10-4-1-3-9(11(10)14)7-12(8-15)5-2-6-16-12/h1,3-4H,2,5-8,15H2
InChIKeyCYPCCCXXTJKREW-UHFFFAOYSA-N
MW276.23 g/mol
LogP3.76
Rot. Bonds3

About [2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine

[2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine (PubChem CID 107310660) has the molecular formula C12H15Cl2NS and a molecular weight of 276.23 g/mol. Its IUPAC name is [2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine
PubChem CID107310660
Molecular FormulaC12H15Cl2NS
Molecular Weight276.23 g/mol
Exact Mass275.03
IUPAC Name[2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine
SMILESNCC1(Cc2cccc(Cl)c2Cl)CCCS1
InChIInChI=1S/C12H15Cl2NS/c13-10-4-1-3-9(11(10)14)7-12(8-15)5-2-6-16-12/h1,3-4H,2,5-8,15H2
InChIKeyCYPCCCXXTJKREW-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine
CID 83173473
2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol
CID 107310642
1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 107309473
3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine
CID 107310931
1-[(2,3-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107307766
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
2-[(2-chlorophenyl)methyl]thiolane-2-carbonitrile
CID 83173466
[2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine
CID 83173206
[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]thiolan-2-yl]methanamine
CID 83174569
[4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 107310651
1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine
CID 107307001
[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine?
The IUPAC name of [2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine (CID 107310660) is [2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine.
What is the SMILES notation for [2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine?
The canonical SMILES for [2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine is NCC1(Cc2cccc(Cl)c2Cl)CCCS1.
What is the InChIKey of [2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine?
The InChIKey is CYPCCCXXTJKREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NS/c13-10-4-1-3-9(11(10)14)7-12(8-15)5-2-6-16-12/h1,3-4H,2,5-8,15H2.
What are the key properties of [2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine?
[2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine has a molecular weight of 276.23 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine is sourced from PubChem (CID 107310660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).