N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C16H23NO3S — CID 61057213

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCC1CCS(=O)(=O)C1
InChIInChI=1S/C16H23NO3S/c1-20-14-5-6-15-13(9-14)3-2-4-16(15)17-10-12-7-8-21(18,19)11-12/h5-6,9,12,16-17H,2-4,7-8,10-11H2,1H3
InChIKeyFXVHXXGGOODRQH-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.10
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 61057213) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID61057213
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCC1CCS(=O)(=O)C1
InChIInChI=1S/C16H23NO3S/c1-20-14-5-6-15-13(9-14)3-2-4-16(15)17-10-12-7-8-21(18,19)11-12/h5-6,9,12,16-17H,2-4,7-8,10-11H2,1H3
InChIKeyFXVHXXGGOODRQH-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115708242
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733
N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 54915639
6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 119033725
N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115727420
3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
CID 28728583
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387
6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104628924

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 61057213) is N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCCC2NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FXVHXXGGOODRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-20-14-5-6-15-13(9-14)3-2-4-16(15)17-10-12-7-8-21(18,19)11-12/h5-6,9,12,16-17H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 309.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 61057213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).