4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide

C11H26N4O6S2 — CID 158815726

IUPAC4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide
SMILESCOC1CN(C)CC1S(N)(=O)=O.COC1CNCC1S(N)(=O)=O
InChIInChI=1S/C6H14N2O3S.C5H12N2O3S/c1-8-3-5(11-2)6(4-8)12(7,9)10;1-10-4-2-7-3-5(4)11(6,8)9/h5-6H,3-4H2,1-2H3,(H2,7,9,10);4-5,7H,2-3H2,1H3,(H2,6,8,9)
InChIKeyIVFXUVGBNXWJOE-UHFFFAOYSA-N
MW374.49 g/mol
LogP-3.13
Rot. Bonds4

About 4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide

4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide (PubChem CID 158815726) has the molecular formula C11H26N4O6S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide
PubChem CID158815726
Molecular FormulaC11H26N4O6S2
Molecular Weight374.49 g/mol
Exact Mass374.13
IUPAC Name4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide
SMILESCOC1CN(C)CC1S(N)(=O)=O.COC1CNCC1S(N)(=O)=O
InChIInChI=1S/C6H14N2O3S.C5H12N2O3S/c1-8-3-5(11-2)6(4-8)12(7,9)10;1-10-4-2-7-3-5(4)11(6,8)9/h5-6H,3-4H2,1-2H3,(H2,7,9,10);4-5,7H,2-3H2,1H3,(H2,6,8,9)
InChIKeyIVFXUVGBNXWJOE-UHFFFAOYSA-N
XLogP-3.13
TPSA154.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 5-3.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide?
The IUPAC name of 4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide (CID 158815726) is 4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide.
What is the SMILES notation for 4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide?
The canonical SMILES for 4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide is COC1CN(C)CC1S(N)(=O)=O.COC1CNCC1S(N)(=O)=O.
What is the InChIKey of 4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide?
The InChIKey is IVFXUVGBNXWJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S.C5H12N2O3S/c1-8-3-5(11-2)6(4-8)12(7,9)10;1-10-4-2-7-3-5(4)11(6,8)9/h5-6H,3-4H2,1-2H3,(H2,7,9,10);4-5,7H,2-3H2,1H3,(H2,6,8,9).
What are the key properties of 4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide?
4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide has a molecular weight of 374.49 g/mol, XLogP of -3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide is sourced from PubChem (CID 158815726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).