N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide

C22H35N3O5S — CID 142573981

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCOCCOCCOCCCN)cccc12
InChIInChI=1S/C22H35N3O5S/c1-25(2)21-9-3-8-20-19(21)7-4-10-22(20)31(26,27)24-12-6-14-29-16-18-30-17-15-28-13-5-11-23/h3-4,7-10,24H,5-6,11-18,23H2,1-2H3
InChIKeyLMXHJCZNKQITEJ-UHFFFAOYSA-N
MW453.61 g/mol
LogP1.97
Rot. Bonds16

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 142573981) has the molecular formula C22H35N3O5S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID142573981
Molecular FormulaC22H35N3O5S
Molecular Weight453.61 g/mol
Exact Mass453.23
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCOCCOCCOCCCN)cccc12
InChIInChI=1S/C22H35N3O5S/c1-25(2)21-9-3-8-20-19(21)7-4-10-22(20)31(26,27)24-12-6-14-29-16-18-30-17-15-28-13-5-11-23/h3-4,7-10,24H,5-6,11-18,23H2,1-2H3
InChIKeyLMXHJCZNKQITEJ-UHFFFAOYSA-N
XLogP1.97
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
CID 3456348
N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 155460184
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
5-(dimethylamino)-N-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
CID 137348720
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 101251643
N-[3-[2-[3-(4-amino-2-methylbenzo[g]benzimidazol-1-yl)propoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58735342
N-[2-(2-aminooxyethoxy)ethoxy]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10970664
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl prop-2-ynoate
CID 170856982
[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethylamino] 2,2,2-trifluoroacetate
CID 137395408

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide (CID 142573981) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCCCOCCOCCOCCCN)cccc12.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is LMXHJCZNKQITEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5S/c1-25(2)21-9-3-8-20-19(21)7-4-10-22(20)31(26,27)24-12-6-14-29-16-18-30-17-15-28-13-5-11-23/h3-4,7-10,24H,5-6,11-18,23H2,1-2H3.
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 453.61 g/mol, XLogP of 1.97, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 142573981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).