5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide

C32H58N6O2S — CID 102092589

IUPAC5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide
SMILESCCNCCCCNCCCCN(CCCCNCCCCNCC)S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C32H58N6O2S/c1-5-33-21-7-9-23-35-25-11-13-27-38(28-14-12-26-36-24-10-8-22-34-6-2)41(39,40)32-20-16-17-29-30(32)18-15-19-31(29)37(3)4/h15-20,33-36H,5-14,21-28H2,1-4H3
InChIKeyCGUPZXKSWTWWIM-UHFFFAOYSA-N
MW590.92 g/mol
LogP4.42
Rot. Bonds25

About 5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide (PubChem CID 102092589) has the molecular formula C32H58N6O2S and a molecular weight of 590.92 g/mol. Its IUPAC name is 5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide
PubChem CID102092589
Molecular FormulaC32H58N6O2S
Molecular Weight590.92 g/mol
Exact Mass590.43
IUPAC Name5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide
SMILESCCNCCCCNCCCCN(CCCCNCCCCNCC)S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C32H58N6O2S/c1-5-33-21-7-9-23-35-25-11-13-27-38(28-14-12-26-36-24-10-8-22-34-6-2)41(39,40)32-20-16-17-29-30(32)18-15-19-31(29)37(3)4/h15-20,33-36H,5-14,21-28H2,1-4H3
InChIKeyCGUPZXKSWTWWIM-UHFFFAOYSA-N
XLogP4.42
TPSA88.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.92
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide
CID 10820158
N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 71405546
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
2-[3-[3-[carboxymethyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propyl-methylamino]propyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetic acid;ethane
CID 142835532
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
CID 173060733
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide
CID 11555407
3-[5-(dimethylamino)naphthalen-1-yl]sulfonyliminopentanedioic acid
CID 10571679
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate
CID 70810373

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide (CID 102092589) is 5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide is CCNCCCCNCCCCN(CCCCNCCCCNCC)S(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide?
The InChIKey is CGUPZXKSWTWWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N6O2S/c1-5-33-21-7-9-23-35-25-11-13-27-38(28-14-12-26-36-24-10-8-22-34-6-2)41(39,40)32-20-16-17-29-30(32)18-15-19-31(29)37(3)4/h15-20,33-36H,5-14,21-28H2,1-4H3.
What are the key properties of 5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide has a molecular weight of 590.92 g/mol, XLogP of 4.42, 25 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 102092589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).