(3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one

C17H21NO5S — CID 163306745

IUPAC(3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c2c1CCCC2
InChIInChI=1S/C17H21NO5S/c1-22-15-6-7-16(13-5-3-2-4-12(13)15)24(20,21)18-8-11-10-23-17(19)14(11)9-18/h6-7,11,14H,2-5,8-10H2,1H3/t11-,14-/m1/s1
InChIKeyYEPZMWDSZGVOBP-BXUZGUMPSA-N
MW351.42 g/mol
LogP1.37
Rot. Bonds3

About (3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one

(3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one (PubChem CID 163306745) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is (3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one.

Molecular Properties

Compound Name(3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
PubChem CID163306745
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name(3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c2c1CCCC2
InChIInChI=1S/C17H21NO5S/c1-22-15-6-7-16(13-5-3-2-4-12(13)15)24(20,21)18-8-11-10-23-17(19)14(11)9-18/h6-7,11,14H,2-5,8-10H2,1H3/t11-,14-/m1/s1
InChIKeyYEPZMWDSZGVOBP-BXUZGUMPSA-N
XLogP1.37
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one?
The IUPAC name of (3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one (CID 163306745) is (3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one.
What is the SMILES notation for (3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one?
The canonical SMILES for (3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one is COc1ccc(S(=O)(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c2c1CCCC2.
What is the InChIKey of (3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one?
The InChIKey is YEPZMWDSZGVOBP-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-22-15-6-7-16(13-5-3-2-4-12(13)15)24(20,21)18-8-11-10-23-17(19)14(11)9-18/h6-7,11,14H,2-5,8-10H2,1H3/t11-,14-/m1/s1.
What are the key properties of (3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one?
(3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one has a molecular weight of 351.42 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one is sourced from PubChem (CID 163306745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).