3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide

C16H26N2O2S — CID 106057677

IUPAC3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H26N2O2S/c1-2-11-17-12-6-13-21(19,20)18-16-10-5-8-14-7-3-4-9-15(14)16/h5,8,10,17-18H,2-4,6-7,9,11-13H2,1H3
InChIKeyJVEQRQDWFWFMGP-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.70
Rot. Bonds8

About 3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide

3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide (PubChem CID 106057677) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide
PubChem CID106057677
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H26N2O2S/c1-2-11-17-12-6-13-21(19,20)18-16-10-5-8-14-7-3-4-9-15(14)16/h5,8,10,17-18H,2-4,6-7,9,11-13H2,1H3
InChIKeyJVEQRQDWFWFMGP-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.70
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
N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide
CID 114141241
N-(3-fluoro-2-methylphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106018387
3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide
CID 106003440
N-(2,6-dibromophenyl)-3-(propylamino)propane-1-sulfonamide
CID 106088845
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369
N-[2-(difluoromethylsulfanyl)phenyl]-3-(propylamino)propane-1-sulfonamide
CID 106057856
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
CID 106003226
5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene
CID 106057683
N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 106722965
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide?
The IUPAC name of 3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide (CID 106057677) is 3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide is CCCNCCCS(=O)(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide?
The InChIKey is JVEQRQDWFWFMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-11-17-12-6-13-21(19,20)18-16-10-5-8-14-7-3-4-9-15(14)16/h5,8,10,17-18H,2-4,6-7,9,11-13H2,1H3.
What are the key properties of 3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide?
3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 106057677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).