N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate

C18H26N2O3S — CID 142259991

IUPACN-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate
SMILESCC1CCN(CCCNS(=O)(=O)c2cccc3ccccc23)C1.O
InChIInChI=1S/C18H24N2O2S.H2O/c1-15-10-13-20(14-15)12-5-11-19-23(21,22)18-9-4-7-16-6-2-3-8-17(16)18;/h2-4,6-9,15,19H,5,10-14H2,1H3;1H2
InChIKeyKTEXOFJLLJMULA-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.03
Rot. Bonds6

About N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate

N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate (PubChem CID 142259991) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate.

Molecular Properties

Compound NameN-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate
PubChem CID142259991
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate
SMILESCC1CCN(CCCNS(=O)(=O)c2cccc3ccccc23)C1.O
InChIInChI=1S/C18H24N2O2S.H2O/c1-15-10-13-20(14-15)12-5-11-19-23(21,22)18-9-4-7-16-6-2-3-8-17(16)18;/h2-4,6-9,15,19H,5,10-14H2,1H3;1H2
InChIKeyKTEXOFJLLJMULA-UHFFFAOYSA-N
XLogP2.03
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride
CID 173425758
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide
CID 60539994
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide
CID 16892719
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide
CID 126478575
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate?
The IUPAC name of N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate (CID 142259991) is N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate.
What is the SMILES notation for N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate?
The canonical SMILES for N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate is CC1CCN(CCCNS(=O)(=O)c2cccc3ccccc23)C1.O.
What is the InChIKey of N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate?
The InChIKey is KTEXOFJLLJMULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S.H2O/c1-15-10-13-20(14-15)12-5-11-19-23(21,22)18-9-4-7-16-6-2-3-8-17(16)18;/h2-4,6-9,15,19H,5,10-14H2,1H3;1H2.
What are the key properties of N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate?
N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate has a molecular weight of 350.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate is sourced from PubChem (CID 142259991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).