5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide

C17H23N3O3S2 — CID 10981814

IUPAC5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide
SMILESCC(CCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12)SN=O
InChIInChI=1S/C17H23N3O3S2/c1-13(24-19-21)7-6-12-18-25(22,23)17-11-5-8-14-15(17)9-4-10-16(14)20(2)3/h4-5,8-11,13,18H,6-7,12H2,1-3H3
InChIKeyFCBRLMYDAYCIOI-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.77
Rot. Bonds9

About 5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide (PubChem CID 10981814) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide
PubChem CID10981814
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide
SMILESCC(CCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12)SN=O
InChIInChI=1S/C17H23N3O3S2/c1-13(24-19-21)7-6-12-18-25(22,23)17-11-5-8-14-15(17)9-4-10-16(14)20(2)3/h4-5,8-11,13,18H,6-7,12H2,1-3H3
InChIKeyFCBRLMYDAYCIOI-UHFFFAOYSA-N
XLogP3.77
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
CID 3456348
tert-butyl 2-amino-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoate
CID 67601202
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142573981
5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide
CID 11555407
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 155460184
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 54343752

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide (CID 10981814) is 5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide is CC(CCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12)SN=O.
What is the InChIKey of 5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide?
The InChIKey is FCBRLMYDAYCIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-13(24-19-21)7-6-12-18-25(22,23)17-11-5-8-14-15(17)9-4-10-16(14)20(2)3/h4-5,8-11,13,18H,6-7,12H2,1-3H3.
What are the key properties of 5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide has a molecular weight of 381.52 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 10981814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).