(4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide

C12H24N2O4S — CID 97363173

IUPAC(4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide
SMILESCOC[C@]12CCCO[C@H]1CCN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C12H24N2O4S/c1-13(2)19(15,16)14-7-5-11-12(9-14,10-17-3)6-4-8-18-11/h11H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeySZZNMEFQXXLDHG-NWDGAFQWSA-N
MW292.40 g/mol
LogP0.31
Rot. Bonds4

About (4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide

(4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide (PubChem CID 97363173) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is (4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide.

Molecular Properties

Compound Name(4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide
PubChem CID97363173
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name(4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide
SMILESCOC[C@]12CCCO[C@H]1CCN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C12H24N2O4S/c1-13(2)19(15,16)14-7-5-11-12(9-14,10-17-3)6-4-8-18-11/h11H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeySZZNMEFQXXLDHG-NWDGAFQWSA-N
XLogP0.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide?
The IUPAC name of (4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide (CID 97363173) is (4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide.
What is the SMILES notation for (4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide?
The canonical SMILES for (4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide is COC[C@]12CCCO[C@H]1CCN(S(=O)(=O)N(C)C)C2.
What is the InChIKey of (4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide?
The InChIKey is SZZNMEFQXXLDHG-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-13(2)19(15,16)14-7-5-11-12(9-14,10-17-3)6-4-8-18-11/h11H,4-10H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide?
(4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide is sourced from PubChem (CID 97363173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).