N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide

C20H28N2O2S — CID 57108813

IUPACN-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide
SMILESCN(CCCCC1CCNCC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H28N2O2S/c1-22(16-5-4-7-17-12-14-21-15-13-17)25(23,24)20-11-6-9-18-8-2-3-10-19(18)20/h2-3,6,8-11,17,21H,4-5,7,12-16H2,1H3
InChIKeyLMWMYLUCCMOFLJ-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.63
Rot. Bonds7

About N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide

N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide (PubChem CID 57108813) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide
PubChem CID57108813
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide
SMILESCN(CCCCC1CCNCC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H28N2O2S/c1-22(16-5-4-7-17-12-14-21-15-13-17)25(23,24)20-11-6-9-18-8-2-3-10-19(18)20/h2-3,6,8-11,17,21H,4-5,7,12-16H2,1H3
InChIKeyLMWMYLUCCMOFLJ-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide?
The IUPAC name of N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide (CID 57108813) is N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide is CN(CCCCC1CCNCC1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide?
The InChIKey is LMWMYLUCCMOFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-22(16-5-4-7-17-12-14-21-15-13-17)25(23,24)20-11-6-9-18-8-2-3-10-19(18)20/h2-3,6,8-11,17,21H,4-5,7,12-16H2,1H3.
What are the key properties of N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide?
N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide has a molecular weight of 360.52 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-piperidin-4-ylbutyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 57108813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).