7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline

C14H23N3O2S — CID 63899504

IUPAC7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline
SMILESCCCCN(C)S(=O)(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C14H23N3O2S/c1-3-4-9-17(2)20(18,19)16-14-6-5-12-7-8-15-11-13(12)10-14/h5-6,10,15-16H,3-4,7-9,11H2,1-2H3
InChIKeyYWTVQLKXELCDAS-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.72
Rot. Bonds6

About 7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline

7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63899504) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline
PubChem CID63899504
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline
SMILESCCCCN(C)S(=O)(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C14H23N3O2S/c1-3-4-9-17(2)20(18,19)16-14-6-5-12-7-8-15-11-13(12)10-14/h5-6,10,15-16H,3-4,7-9,11H2,1-2H3
InChIKeyYWTVQLKXELCDAS-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide
CID 63902148
ethyl 2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfamoyl)acetate
CID 63900518
1-butyl-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901957
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide
CID 63901962
1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene
CID 54898316
2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid
CID 115296004
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide
CID 105361396
3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 63901960
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63900725
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933

Frequently Asked Questions

What is the IUPAC name of 7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline (CID 63899504) is 7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline is CCCCN(C)S(=O)(=O)Nc1ccc2c(c1)CNCC2.
What is the InChIKey of 7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YWTVQLKXELCDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-4-9-17(2)20(18,19)16-14-6-5-12-7-8-15-11-13(12)10-14/h5-6,10,15-16H,3-4,7-9,11H2,1-2H3.
What are the key properties of 7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline?
7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 297.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63899504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).