5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C16H24N2O3S — CID 167936513

IUPAC5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC1(CNC2CCCc3cc(S(N)(=O)=O)ccc32)CCOC1
InChIInChI=1S/C16H24N2O3S/c1-16(7-8-21-11-16)10-18-15-4-2-3-12-9-13(22(17,19)20)5-6-14(12)15/h5-6,9,15,18H,2-4,7-8,10-11H2,1H3,(H2,17,19,20)
InChIKeyWTNCNENVEWEMLM-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.73
Rot. Bonds4

About 5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 167936513) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID167936513
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC1(CNC2CCCc3cc(S(N)(=O)=O)ccc32)CCOC1
InChIInChI=1S/C16H24N2O3S/c1-16(7-8-21-11-16)10-18-15-4-2-3-12-9-13(22(17,19)20)5-6-14(12)15/h5-6,9,15,18H,2-4,7-8,10-11H2,1H3,(H2,17,19,20)
InChIKeyWTNCNENVEWEMLM-UHFFFAOYSA-N
XLogP1.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide 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 5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of 5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 167936513) is 5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for 5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for 5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CC1(CNC2CCCc3cc(S(N)(=O)=O)ccc32)CCOC1.
What is the InChIKey of 5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is WTNCNENVEWEMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(7-8-21-11-16)10-18-15-4-2-3-12-9-13(22(17,19)20)5-6-14(12)15/h5-6,9,15,18H,2-4,7-8,10-11H2,1H3,(H2,17,19,20).
What are the key properties of 5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 167936513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).