4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide

C29H37NO3S — CID 18658225

IUPAC4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide
SMILESC/C(=C\c1ccc(OCCN2C=CS(=O)(=O)CC2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H37NO3S/c1-22(24-8-11-26-27(21-24)29(4,5)13-12-28(26,2)3)20-23-6-9-25(10-7-23)33-17-14-30-15-18-34(31,32)19-16-30/h6-11,15,18,20-21H,12-14,16-17,19H2,1-5H3/b22-20+
InChIKeyWBOKVMSKXXNVTG-LSDHQDQOSA-N
MW479.69 g/mol
LogP6.18
Rot. Bonds6

About 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide

4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide (PubChem CID 18658225) has the molecular formula C29H37NO3S and a molecular weight of 479.69 g/mol. Its IUPAC name is 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide.

Molecular Properties

Compound Name4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide
PubChem CID18658225
Molecular FormulaC29H37NO3S
Molecular Weight479.69 g/mol
Exact Mass479.25
IUPAC Name4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide
SMILESC/C(=C\c1ccc(OCCN2C=CS(=O)(=O)CC2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H37NO3S/c1-22(24-8-11-26-27(21-24)29(4,5)13-12-28(26,2)3)20-23-6-9-25(10-7-23)33-17-14-30-15-18-34(31,32)19-16-30/h6-11,15,18,20-21H,12-14,16-17,19H2,1-5H3/b22-20+
InChIKeyWBOKVMSKXXNVTG-LSDHQDQOSA-N
XLogP6.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.69
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide 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 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The IUPAC name of 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide (CID 18658225) is 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide.
What is the SMILES notation for 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The canonical SMILES for 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide is C/C(=C\c1ccc(OCCN2C=CS(=O)(=O)CC2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The InChIKey is WBOKVMSKXXNVTG-LSDHQDQOSA-N. The full InChI is InChI=1S/C29H37NO3S/c1-22(24-8-11-26-27(21-24)29(4,5)13-12-28(26,2)3)20-23-6-9-25(10-7-23)33-17-14-30-15-18-34(31,32)19-16-30/h6-11,15,18,20-21H,12-14,16-17,19H2,1-5H3/b22-20+.
What are the key properties of 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide?
4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide has a molecular weight of 479.69 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide is sourced from PubChem (CID 18658225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).