2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine

C17H21ClN2S — CID 64631469

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(C)Sc2ccc(Cl)cn2)cc1
InChIInChI=1S/C17H21ClN2S/c1-4-13-5-7-14(8-6-13)17(19-3)12(2)21-16-10-9-15(18)11-20-16/h5-12,17,19H,4H2,1-3H3
InChIKeyUBIOBWHUDOLKHZ-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.74
Rot. Bonds6

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine

2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine (PubChem CID 64631469) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine
PubChem CID64631469
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(C)Sc2ccc(Cl)cn2)cc1
InChIInChI=1S/C17H21ClN2S/c1-4-13-5-7-14(8-6-13)17(19-3)12(2)21-16-10-9-15(18)11-20-16/h5-12,17,19H,4H2,1-3H3
InChIKeyUBIOBWHUDOLKHZ-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine (CID 64631469) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine is CCc1ccc(C(NC)C(C)Sc2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine?
The InChIKey is UBIOBWHUDOLKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-4-13-5-7-14(8-6-13)17(19-3)12(2)21-16-10-9-15(18)11-20-16/h5-12,17,19H,4H2,1-3H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine?
2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine has a molecular weight of 320.89 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 64631469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).