N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide

C14H20N4O4S — CID 97461335

IUPACN-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide
SMILESCc1cnc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)cn1
InChIInChI=1S/C14H20N4O4S/c1-9-6-16-10(7-15-9)14(19)18-8-11(17-23(2,20)21)13-12(18)4-3-5-22-13/h6-7,11-13,17H,3-5,8H2,1-2H3/t11-,12+,13+/m1/s1
InChIKeyJYBUHTRNSZRVDW-AGIUHOORSA-N
MW340.41 g/mol
LogP-0.29
Rot. Bonds3

About N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide

N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide (PubChem CID 97461335) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide
PubChem CID97461335
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC NameN-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide
SMILESCc1cnc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)cn1
InChIInChI=1S/C14H20N4O4S/c1-9-6-16-10(7-15-9)14(19)18-8-11(17-23(2,20)21)13-12(18)4-3-5-22-13/h6-7,11-13,17H,3-5,8H2,1-2H3/t11-,12+,13+/m1/s1
InChIKeyJYBUHTRNSZRVDW-AGIUHOORSA-N
XLogP-0.29
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide (CID 97461335) is N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide is Cc1cnc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)cn1.
What is the InChIKey of N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide?
The InChIKey is JYBUHTRNSZRVDW-AGIUHOORSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-9-6-16-10(7-15-9)14(19)18-8-11(17-23(2,20)21)13-12(18)4-3-5-22-13/h6-7,11-13,17H,3-5,8H2,1-2H3/t11-,12+,13+/m1/s1.
What are the key properties of N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide?
N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide has a molecular weight of 340.41 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide is sourced from PubChem (CID 97461335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).