(2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C11H19NO3S — CID 97385075

IUPAC(2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESC[C@H]1C[C@@H]2CCN(S(=O)(=O)C3CC3)C[C@H]2O1
InChIInChI=1S/C11H19NO3S/c1-8-6-9-4-5-12(7-11(9)15-8)16(13,14)10-2-3-10/h8-11H,2-7H2,1H3/t8-,9-,11+/m0/s1
InChIKeyYXEFIBHGFOSJNY-ATZCPNFKSA-N
MW245.34 g/mol
LogP0.98
Rot. Bonds2

About (2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 97385075) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is (2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID97385075
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name(2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESC[C@H]1C[C@@H]2CCN(S(=O)(=O)C3CC3)C[C@H]2O1
InChIInChI=1S/C11H19NO3S/c1-8-6-9-4-5-12(7-11(9)15-8)16(13,14)10-2-3-10/h8-11H,2-7H2,1H3/t8-,9-,11+/m0/s1
InChIKeyYXEFIBHGFOSJNY-ATZCPNFKSA-N
XLogP0.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine 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 (2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 97385075) is (2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is C[C@H]1C[C@@H]2CCN(S(=O)(=O)C3CC3)C[C@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is YXEFIBHGFOSJNY-ATZCPNFKSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-8-6-9-4-5-12(7-11(9)15-8)16(13,14)10-2-3-10/h8-11H,2-7H2,1H3/t8-,9-,11+/m0/s1.
What are the key properties of (2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 245.34 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-6-cyclopropylsulfonyl-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 97385075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).