N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide

C15H23N3O3S — CID 97459802

IUPACN-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
SMILESCc1cccc(N2CC[C@@H]3[C@@H](CO[C@H]3CNS(C)(=O)=O)C2)n1
InChIInChI=1S/C15H23N3O3S/c1-11-4-3-5-15(17-11)18-7-6-13-12(9-18)10-21-14(13)8-16-22(2,19)20/h3-5,12-14,16H,6-10H2,1-2H3/t12-,13-,14+/m1/s1
InChIKeyDTQXPHGLQPXWSX-MCIONIFRSA-N
MW325.43 g/mol
LogP0.78
Rot. Bonds4

About N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide

N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide (PubChem CID 97459802) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
PubChem CID97459802
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
SMILESCc1cccc(N2CC[C@@H]3[C@@H](CO[C@H]3CNS(C)(=O)=O)C2)n1
InChIInChI=1S/C15H23N3O3S/c1-11-4-3-5-15(17-11)18-7-6-13-12(9-18)10-21-14(13)8-16-22(2,19)20/h3-5,12-14,16H,6-10H2,1-2H3/t12-,13-,14+/m1/s1
InChIKeyDTQXPHGLQPXWSX-MCIONIFRSA-N
XLogP0.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide (CID 97459802) is N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide is Cc1cccc(N2CC[C@@H]3[C@@H](CO[C@H]3CNS(C)(=O)=O)C2)n1.
What is the InChIKey of N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide?
The InChIKey is DTQXPHGLQPXWSX-MCIONIFRSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11-4-3-5-15(17-11)18-7-6-13-12(9-18)10-21-14(13)8-16-22(2,19)20/h3-5,12-14,16H,6-10H2,1-2H3/t12-,13-,14+/m1/s1.
What are the key properties of N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide?
N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97459802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).