2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide

C15H23NO3S — CID 97160160

IUPAC2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESC[C@@H]1C[C@@H]1c1ccc(CN2CCS(=O)(=O)C(C)(C)C2)o1
InChIInChI=1S/C15H23NO3S/c1-11-8-13(11)14-5-4-12(19-14)9-16-6-7-20(17,18)15(2,3)10-16/h4-5,11,13H,6-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyGSWINMDTVKCYTF-YPMHNXCESA-N
MW297.42 g/mol
LogP2.41
Rot. Bonds3

About 2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide

2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 97160160) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID97160160
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESC[C@@H]1C[C@@H]1c1ccc(CN2CCS(=O)(=O)C(C)(C)C2)o1
InChIInChI=1S/C15H23NO3S/c1-11-8-13(11)14-5-4-12(19-14)9-16-6-7-20(17,18)15(2,3)10-16/h4-5,11,13H,6-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyGSWINMDTVKCYTF-YPMHNXCESA-N
XLogP2.41
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 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 2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide (CID 97160160) is 2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide is C[C@@H]1C[C@@H]1c1ccc(CN2CCS(=O)(=O)C(C)(C)C2)o1.
What is the InChIKey of 2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is GSWINMDTVKCYTF-YPMHNXCESA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11-8-13(11)14-5-4-12(19-14)9-16-6-7-20(17,18)15(2,3)10-16/h4-5,11,13H,6-10H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of 2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide?
2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 297.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 97160160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).