N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide

C13H18N2O3S — CID 54423811

IUPACN'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=NS(=O)(=O)c1cc2c(cc1O)CCCC2
InChIInChI=1S/C13H18N2O3S/c1-15(2)9-14-19(17,18)13-8-11-6-4-3-5-10(11)7-12(13)16/h7-9,16H,3-6H2,1-2H3
InChIKeyWCQNBMWQYWIBNW-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.55
Rot. Bonds3

About N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide

N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide (PubChem CID 54423811) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide
PubChem CID54423811
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=NS(=O)(=O)c1cc2c(cc1O)CCCC2
InChIInChI=1S/C13H18N2O3S/c1-15(2)9-14-19(17,18)13-8-11-6-4-3-5-10(11)7-12(13)16/h7-9,16H,3-6H2,1-2H3
InChIKeyWCQNBMWQYWIBNW-UHFFFAOYSA-N
XLogP1.55
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide (CID 54423811) is N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide is CN(C)C=NS(=O)(=O)c1cc2c(cc1O)CCCC2.
What is the InChIKey of N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide?
The InChIKey is WCQNBMWQYWIBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-15(2)9-14-19(17,18)13-8-11-6-4-3-5-10(11)7-12(13)16/h7-9,16H,3-6H2,1-2H3.
What are the key properties of N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide?
N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide has a molecular weight of 282.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 54423811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).