2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide

C13H18N2O2S — CID 114231486

IUPAC2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2c(c1)C(N)C(SCC(N)=O)CC2
InChIInChI=1S/C13H18N2O2S/c1-17-9-4-2-8-3-5-11(18-7-12(14)16)13(15)10(8)6-9/h2,4,6,11,13H,3,5,7,15H2,1H3,(H2,14,16)
InChIKeyHZCQFHRCIWCEIJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.23
Rot. Bonds4

About 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide

2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide (PubChem CID 114231486) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide
PubChem CID114231486
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2c(c1)C(N)C(SCC(N)=O)CC2
InChIInChI=1S/C13H18N2O2S/c1-17-9-4-2-8-3-5-11(18-7-12(14)16)13(15)10(8)6-9/h2,4,6,11,13H,3,5,7,15H2,1H3,(H2,14,16)
InChIKeyHZCQFHRCIWCEIJ-UHFFFAOYSA-N
XLogP1.23
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate
CID 79236632
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
2-(4-fluorophenyl)sulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236126
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107762876
7-methoxy-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237114
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide (CID 114231486) is 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide is COc1ccc2c(c1)C(N)C(SCC(N)=O)CC2.
What is the InChIKey of 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide?
The InChIKey is HZCQFHRCIWCEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-17-9-4-2-8-3-5-11(18-7-12(14)16)13(15)10(8)6-9/h2,4,6,11,13H,3,5,7,15H2,1H3,(H2,14,16).
What are the key properties of 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide?
2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide has a molecular weight of 266.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 114231486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).