2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene

C12H18N2O3S — CID 127031859

IUPAC2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene
SMILESCN(C)S(=O)(=O)NC1CCc2ccc(O)cc2C1
InChIInChI=1S/C12H18N2O3S/c1-14(2)18(16,17)13-11-5-3-9-4-6-12(15)8-10(9)7-11/h4,6,8,11,13,15H,3,5,7H2,1-2H3
InChIKeyJLIPZZZIHAMHFT-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.65
Rot. Bonds3

About 2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene

2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 127031859) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene
PubChem CID127031859
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene
SMILESCN(C)S(=O)(=O)NC1CCc2ccc(O)cc2C1
InChIInChI=1S/C12H18N2O3S/c1-14(2)18(16,17)13-11-5-3-9-4-6-12(15)8-10(9)7-11/h4,6,8,11,13,15H,3,5,7H2,1-2H3
InChIKeyJLIPZZZIHAMHFT-UHFFFAOYSA-N
XLogP0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene (CID 127031859) is 2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene is CN(C)S(=O)(=O)NC1CCc2ccc(O)cc2C1.
What is the InChIKey of 2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JLIPZZZIHAMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14(2)18(16,17)13-11-5-3-9-4-6-12(15)8-10(9)7-11/h4,6,8,11,13,15H,3,5,7H2,1-2H3.
What are the key properties of 2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene?
2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 270.35 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-7-hydroxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 127031859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).