(2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C15H22N4O4S — CID 97366781

IUPAC(2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(S(C)(=O)=O)C[C@H]3O2)cn1
InChIInChI=1S/C15H22N4O4S/c1-10-6-17-12(7-16-10)8-18-15(20)13-5-11-3-4-19(24(2,21)22)9-14(11)23-13/h6-7,11,13-14H,3-5,8-9H2,1-2H3,(H,18,20)/t11-,13-,14+/m0/s1
InChIKeyFXAPZQKURRLFEX-FPMFFAJLSA-N
MW354.43 g/mol
LogP-0.16
Rot. Bonds4

About (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366781) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366781
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name(2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(S(C)(=O)=O)C[C@H]3O2)cn1
InChIInChI=1S/C15H22N4O4S/c1-10-6-17-12(7-16-10)8-18-15(20)13-5-11-3-4-19(24(2,21)22)9-14(11)23-13/h6-7,11,13-14H,3-5,8-9H2,1-2H3,(H,18,20)/t11-,13-,14+/m0/s1
InChIKeyFXAPZQKURRLFEX-FPMFFAJLSA-N
XLogP-0.16
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366781) is (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(S(C)(=O)=O)C[C@H]3O2)cn1.
What is the InChIKey of (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is FXAPZQKURRLFEX-FPMFFAJLSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-10-6-17-12(7-16-10)8-18-15(20)13-5-11-3-4-19(24(2,21)22)9-14(11)23-13/h6-7,11,13-14H,3-5,8-9H2,1-2H3,(H,18,20)/t11-,13-,14+/m0/s1.
What are the key properties of (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).