1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine

C15H16Cl2N2S — CID 66139956

IUPAC1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Cl)Cc1ccncc1Cl
InChIInChI=1S/C15H16Cl2N2S/c1-18-12(8-11-6-7-19-9-14(11)17)10-20-15-5-3-2-4-13(15)16/h2-7,9,12,18H,8,10H2,1H3
InChIKeySQKCXYOKGAUNTM-UHFFFAOYSA-N
MW327.28 g/mol
LogP4.31
Rot. Bonds6

About 1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine

1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine (PubChem CID 66139956) has the molecular formula C15H16Cl2N2S and a molecular weight of 327.28 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
PubChem CID66139956
Molecular FormulaC15H16Cl2N2S
Molecular Weight327.28 g/mol
Exact Mass326.04
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Cl)Cc1ccncc1Cl
InChIInChI=1S/C15H16Cl2N2S/c1-18-12(8-11-6-7-19-9-14(11)17)10-20-15-5-3-2-4-13(15)16/h2-7,9,12,18H,8,10H2,1H3
InChIKeySQKCXYOKGAUNTM-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 103048819
1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761997
1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 105157330
1-(2-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66140357
1-(2-chlorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66139977
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 112655636
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 66140167
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 66145628

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine (CID 66139956) is 1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine is CNC(CSc1ccccc1Cl)Cc1ccncc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine?
The InChIKey is SQKCXYOKGAUNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2S/c1-18-12(8-11-6-7-19-9-14(11)17)10-20-15-5-3-2-4-13(15)16/h2-7,9,12,18H,8,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine?
1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine has a molecular weight of 327.28 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine is sourced from PubChem (CID 66139956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).