2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine

C21H29NO4S — CID 16645000

IUPAC2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine
SMILESCCCCCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)c2ccccc12
InChIInChI=1S/C21H29NO4S/c1-4-5-8-13-25-20-11-12-21(19-10-7-6-9-18(19)20)27(23,24)22-14-16(2)26-17(3)15-22/h6-7,9-12,16-17H,4-5,8,13-15H2,1-3H3
InChIKeyKCOPOXIUENAZHR-UHFFFAOYSA-N
MW391.53 g/mol
LogP4.21
Rot. Bonds7

About 2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine

2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine (PubChem CID 16645000) has the molecular formula C21H29NO4S and a molecular weight of 391.53 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine
PubChem CID16645000
Molecular FormulaC21H29NO4S
Molecular Weight391.53 g/mol
Exact Mass391.18
IUPAC Name2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine
SMILESCCCCCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)c2ccccc12
InChIInChI=1S/C21H29NO4S/c1-4-5-8-13-25-20-11-12-21(19-10-7-6-9-18(19)20)27(23,24)22-14-16(2)26-17(3)15-22/h6-7,9-12,16-17H,4-5,8,13-15H2,1-3H3
InChIKeyKCOPOXIUENAZHR-UHFFFAOYSA-N
XLogP4.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.53
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine (CID 16645000) is 2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine is CCCCCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)c2ccccc12.
What is the InChIKey of 2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine?
The InChIKey is KCOPOXIUENAZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4S/c1-4-5-8-13-25-20-11-12-21(19-10-7-6-9-18(19)20)27(23,24)22-14-16(2)26-17(3)15-22/h6-7,9-12,16-17H,4-5,8,13-15H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine?
2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine has a molecular weight of 391.53 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine is sourced from PubChem (CID 16645000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).