1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene

C15H19F2N3O3S — CID 86870488

IUPAC1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESCN(CCC#N)S(=O)(=O)NC1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C15H19F2N3O3S/c1-20(9-3-8-18)24(21,22)19-14-5-2-4-11-10-12(23-15(16)17)6-7-13(11)14/h6-7,10,14-15,19H,2-5,9H2,1H3
InChIKeyWXZVXMZSFMRQCU-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.35
Rot. Bonds7

About 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene

1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 86870488) has the molecular formula C15H19F2N3O3S and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID86870488
Molecular FormulaC15H19F2N3O3S
Molecular Weight359.40 g/mol
Exact Mass359.11
IUPAC Name1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESCN(CCC#N)S(=O)(=O)NC1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C15H19F2N3O3S/c1-20(9-3-8-18)24(21,22)19-14-5-2-4-11-10-12(23-15(16)17)6-7-13(11)14/h6-7,10,14-15,19H,2-5,9H2,1H3
InChIKeyWXZVXMZSFMRQCU-UHFFFAOYSA-N
XLogP2.35
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94826773
6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 120722001
4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
CID 86870489
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
3-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424275
3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
CID 28728583
1-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454981
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide;hydrochloride
CID 119310232
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride
CID 120590890
3-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-propylpropanamide
CID 86870829
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224

Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene (CID 86870488) is 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene is CN(CCC#N)S(=O)(=O)NC1CCCc2cc(OC(F)F)ccc21.
What is the InChIKey of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WXZVXMZSFMRQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O3S/c1-20(9-3-8-18)24(21,22)19-14-5-2-4-11-10-12(23-15(16)17)6-7-13(11)14/h6-7,10,14-15,19H,2-5,9H2,1H3.
What are the key properties of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 359.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 86870488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).