2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H19ClN2S — CID 115420601

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2C(C)CC1Sc1ccc(Cl)cn1
InChIInChI=1S/C17H19ClN2S/c1-11-9-15(21-16-8-7-12(18)10-20-16)17(19-2)14-6-4-3-5-13(11)14/h3-8,10-11,15,17,19H,9H2,1-2H3
InChIKeyKMQFDXKIQHLMNH-UHFFFAOYSA-N
MW318.87 g/mol
LogP4.66
Rot. Bonds3

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420601) has the molecular formula C17H19ClN2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420601
Molecular FormulaC17H19ClN2S
Molecular Weight318.87 g/mol
Exact Mass318.10
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2C(C)CC1Sc1ccc(Cl)cn1
InChIInChI=1S/C17H19ClN2S/c1-11-9-15(21-16-8-7-12(18)10-20-16)17(19-2)14-6-4-3-5-13(11)14/h3-8,10-11,15,17,19H,9H2,1-2H3
InChIKeyKMQFDXKIQHLMNH-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 54.66
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]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420601) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2C(C)CC1Sc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KMQFDXKIQHLMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2S/c1-11-9-15(21-16-8-7-12(18)10-20-16)17(19-2)14-6-4-3-5-13(11)14/h3-8,10-11,15,17,19H,9H2,1-2H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-[(5-chloro-2-pyridinyl)sulfanyl]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 318.87 g/mol, XLogP of 4.66, 3 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]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).