4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide

C17H24N2O6S — CID 51974855

IUPAC4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide
SMILESCOc1c2c(c(S(=O)(=O)NC[C@@H]3CCCO3)c3c1OCO3)CCN(C)C2
InChIInChI=1S/C17H24N2O6S/c1-19-6-5-12-13(9-19)14(22-2)15-16(25-10-24-15)17(12)26(20,21)18-8-11-4-3-7-23-11/h11,18H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyDUERFPYWKHMYQJ-NSHDSACASA-N
MW384.45 g/mol
LogP0.87
Rot. Bonds5

About 4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide

4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide (PubChem CID 51974855) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide
PubChem CID51974855
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide
SMILESCOc1c2c(c(S(=O)(=O)NC[C@@H]3CCCO3)c3c1OCO3)CCN(C)C2
InChIInChI=1S/C17H24N2O6S/c1-19-6-5-12-13(9-19)14(22-2)15-16(25-10-24-15)17(12)26(20,21)18-8-11-4-3-7-23-11/h11,18H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyDUERFPYWKHMYQJ-NSHDSACASA-N
XLogP0.87
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide with MolForge

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Related Compounds

cyclobutyl-[4-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)sulfonyl]piperazin-1-yl]methanone
CID 125428620
4-methoxy-2,3,5-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1085540
2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682485
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874
4-iodo-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 34886718
4-iodo-3-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19132665
3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1460149
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2968373

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide?
The IUPAC name of 4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide (CID 51974855) is 4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide.
What is the SMILES notation for 4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide?
The canonical SMILES for 4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide is COc1c2c(c(S(=O)(=O)NC[C@@H]3CCCO3)c3c1OCO3)CCN(C)C2.
What is the InChIKey of 4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide?
The InChIKey is DUERFPYWKHMYQJ-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-19-6-5-12-13(9-19)14(22-2)15-16(25-10-24-15)17(12)26(20,21)18-8-11-4-3-7-23-11/h11,18H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide?
4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide has a molecular weight of 384.45 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide is sourced from PubChem (CID 51974855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).