(1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide

C13H22N4O4S — CID 97476187

IUPAC(1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide
SMILESCc1nnc(C[C@H]2OC[C@H]3CN(S(=O)(=O)N(C)C)CC[C@H]32)o1
InChIInChI=1S/C13H22N4O4S/c1-9-14-15-13(21-9)6-12-11-4-5-17(7-10(11)8-20-12)22(18,19)16(2)3/h10-12H,4-8H2,1-3H3/t10-,11-,12-/m1/s1
InChIKeyJPZHBRHQWLJOGY-IJLUTSLNSA-N
MW330.41 g/mol
LogP0.06
Rot. Bonds4

About (1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide

(1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide (PubChem CID 97476187) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is (1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide.

Molecular Properties

Compound Name(1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide
PubChem CID97476187
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name(1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide
SMILESCc1nnc(C[C@H]2OC[C@H]3CN(S(=O)(=O)N(C)C)CC[C@H]32)o1
InChIInChI=1S/C13H22N4O4S/c1-9-14-15-13(21-9)6-12-11-4-5-17(7-10(11)8-20-12)22(18,19)16(2)3/h10-12H,4-8H2,1-3H3/t10-,11-,12-/m1/s1
InChIKeyJPZHBRHQWLJOGY-IJLUTSLNSA-N
XLogP0.06
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide?
The IUPAC name of (1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide (CID 97476187) is (1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide.
What is the SMILES notation for (1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide?
The canonical SMILES for (1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide is Cc1nnc(C[C@H]2OC[C@H]3CN(S(=O)(=O)N(C)C)CC[C@H]32)o1.
What is the InChIKey of (1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide?
The InChIKey is JPZHBRHQWLJOGY-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-9-14-15-13(21-9)6-12-11-4-5-17(7-10(11)8-20-12)22(18,19)16(2)3/h10-12H,4-8H2,1-3H3/t10-,11-,12-/m1/s1.
What are the key properties of (1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide?
(1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aR,7aR)-N,N-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-sulfonamide is sourced from PubChem (CID 97476187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).