8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline

C15H25N3O2S — CID 81424375

IUPAC8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)N(C)S(=O)(=O)NCCc1cccc2c1NCCC2
InChIInChI=1S/C15H25N3O2S/c1-12(2)18(3)21(19,20)17-11-9-14-7-4-6-13-8-5-10-16-15(13)14/h4,6-7,12,16-17H,5,8-11H2,1-3H3
InChIKeyZQFROLRRSDWXKZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.76
Rot. Bonds6

About 8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline

8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 81424375) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline
PubChem CID81424375
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)N(C)S(=O)(=O)NCCc1cccc2c1NCCC2
InChIInChI=1S/C15H25N3O2S/c1-12(2)18(3)21(19,20)17-11-9-14-7-4-6-13-8-5-10-16-15(13)14/h4,6-7,12,16-17H,5,8-11H2,1-3H3
InChIKeyZQFROLRRSDWXKZ-UHFFFAOYSA-N
XLogP1.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline (CID 81424375) is 8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline is CC(C)N(C)S(=O)(=O)NCCc1cccc2c1NCCC2.
What is the InChIKey of 8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZQFROLRRSDWXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2)18(3)21(19,20)17-11-9-14-7-4-6-13-8-5-10-16-15(13)14/h4,6-7,12,16-17H,5,8-11H2,1-3H3.
What are the key properties of 8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline?
8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 311.45 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81424375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).