2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C16H17ClN2OS — CID 79236232

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(Sc1ccc(Cl)cn1)CC2
InChIInChI=1S/C16H17ClN2OS/c1-20-12-5-2-10-3-6-14(16(18)13(10)8-12)21-15-7-4-11(17)9-19-15/h2,4-5,7-9,14,16H,3,6,18H2,1H3
InChIKeyZTTOXJBBIZNPBK-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.85
Rot. Bonds3

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79236232) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79236232
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(Sc1ccc(Cl)cn1)CC2
InChIInChI=1S/C16H17ClN2OS/c1-20-12-5-2-10-3-6-14(16(18)13(10)8-12)21-15-7-4-11(17)9-19-15/h2,4-5,7-9,14,16H,3,6,18H2,1H3
InChIKeyZTTOXJBBIZNPBK-UHFFFAOYSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237114
2-(4-fluorophenyl)sulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236126
6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64647734
7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763288
2-cyclohexylsulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247855
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide
CID 114231486
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
7-methoxy-N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236526
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
ethyl 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetate
CID 79248246
2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247700

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79236232) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(N)C(Sc1ccc(Cl)cn1)CC2.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZTTOXJBBIZNPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-20-12-5-2-10-3-6-14(16(18)13(10)8-12)21-15-7-4-11(17)9-19-15/h2,4-5,7-9,14,16H,3,6,18H2,1H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 320.85 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79236232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).