5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene

C15H25N3O2S — CID 106057683

IUPAC5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene
SMILESCNCCCN(C)S(=O)(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C15H25N3O2S/c1-16-11-6-12-18(2)21(19,20)17-15-10-5-8-13-7-3-4-9-14(13)15/h5,8,10,16-17H,3-4,6-7,9,11-12H2,1-2H3
InChIKeyRQZNHVMJUNFIAW-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.76
Rot. Bonds7

About 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene

5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene (PubChem CID 106057683) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene
PubChem CID106057683
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene
SMILESCNCCCN(C)S(=O)(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C15H25N3O2S/c1-16-11-6-12-18(2)21(19,20)17-15-10-5-8-13-7-3-4-9-14(13)15/h5,8,10,16-17H,3-4,6-7,9,11-12H2,1-2H3
InChIKeyRQZNHVMJUNFIAW-UHFFFAOYSA-N
XLogP1.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 54974704
5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline
CID 106057892
1,2,4-trichloro-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106057712
3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide
CID 106057677
4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106056678
1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106088483
2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106006630
1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106031237
1-chloro-3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylbenzene
CID 106057400
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106066650

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene (CID 106057683) is 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene is CNCCCN(C)S(=O)(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RQZNHVMJUNFIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-16-11-6-12-18(2)21(19,20)17-15-10-5-8-13-7-3-4-9-14(13)15/h5,8,10,16-17H,3-4,6-7,9,11-12H2,1-2H3.
What are the key properties of 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene?
5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 311.45 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 106057683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).