(2,3-dichlorophenyl)-(thiolan-2-yl)methanamine

C11H13Cl2NS — CID 80623174

IUPAC(2,3-dichlorophenyl)-(thiolan-2-yl)methanamine
SMILESNC(c1cccc(Cl)c1Cl)C1CCCS1
InChIInChI=1S/C11H13Cl2NS/c12-8-4-1-3-7(10(8)13)11(14)9-5-2-6-15-9/h1,3-4,9,11H,2,5-6,14H2
InChIKeyYSADNQULAOWEIH-UHFFFAOYSA-N
MW262.20 g/mol
LogP3.89
Rot. Bonds2

About (2,3-dichlorophenyl)-(thiolan-2-yl)methanamine

(2,3-dichlorophenyl)-(thiolan-2-yl)methanamine (PubChem CID 80623174) has the molecular formula C11H13Cl2NS and a molecular weight of 262.20 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(thiolan-2-yl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(thiolan-2-yl)methanamine
PubChem CID80623174
Molecular FormulaC11H13Cl2NS
Molecular Weight262.20 g/mol
Exact Mass261.01
IUPAC Name(2,3-dichlorophenyl)-(thiolan-2-yl)methanamine
SMILESNC(c1cccc(Cl)c1Cl)C1CCCS1
InChIInChI=1S/C11H13Cl2NS/c12-8-4-1-3-7(10(8)13)11(14)9-5-2-6-15-9/h1,3-4,9,11H,2,5-6,14H2
InChIKeyYSADNQULAOWEIH-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(3-bromo-2-fluorophenyl)-(thiolan-2-yl)methanamine
CID 106645947
thiolan-2-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 80621510
quinolin-5-yl(thiolan-2-yl)methanamine
CID 81224263
1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621667
(2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105141855
2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol
CID 107308228
(2,3-dichlorophenyl)methanediamine
CID 139660481
N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627512
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanamine
CID 65393105
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115851414
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
CID 171161214

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(thiolan-2-yl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(thiolan-2-yl)methanamine (CID 80623174) is (2,3-dichlorophenyl)-(thiolan-2-yl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(thiolan-2-yl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(thiolan-2-yl)methanamine is NC(c1cccc(Cl)c1Cl)C1CCCS1.
What is the InChIKey of (2,3-dichlorophenyl)-(thiolan-2-yl)methanamine?
The InChIKey is YSADNQULAOWEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NS/c12-8-4-1-3-7(10(8)13)11(14)9-5-2-6-15-9/h1,3-4,9,11H,2,5-6,14H2.
What are the key properties of (2,3-dichlorophenyl)-(thiolan-2-yl)methanamine?
(2,3-dichlorophenyl)-(thiolan-2-yl)methanamine has a molecular weight of 262.20 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(thiolan-2-yl)methanamine is sourced from PubChem (CID 80623174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).