4-methoxy-1-methylpyrrolidine-3-sulfonamide

C6H14N2O3S — CID 137403318

IUPAC4-methoxy-1-methylpyrrolidine-3-sulfonamide
SMILESCOC1CN(C)CC1S(N)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-8-3-5(11-2)6(4-8)12(7,9)10/h5-6H,3-4H2,1-2H3,(H2,7,9,10)
InChIKeyPWNGTPSDDFNGAT-UHFFFAOYSA-N
MW194.26 g/mol
LogP-1.40
Rot. Bonds2

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

4-methoxy-1-methylpyrrolidine-3-sulfonamide (PubChem CID 137403318) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 4-methoxy-1-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name4-methoxy-1-methylpyrrolidine-3-sulfonamide
PubChem CID137403318
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name4-methoxy-1-methylpyrrolidine-3-sulfonamide
SMILESCOC1CN(C)CC1S(N)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-8-3-5(11-2)6(4-8)12(7,9)10/h5-6H,3-4H2,1-2H3,(H2,7,9,10)
InChIKeyPWNGTPSDDFNGAT-UHFFFAOYSA-N
XLogP-1.40
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylpyrrolidine-3-sulfonamide?
The IUPAC name of 4-methoxy-1-methylpyrrolidine-3-sulfonamide (CID 137403318) is 4-methoxy-1-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 4-methoxy-1-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for 4-methoxy-1-methylpyrrolidine-3-sulfonamide is COC1CN(C)CC1S(N)(=O)=O.
What is the InChIKey of 4-methoxy-1-methylpyrrolidine-3-sulfonamide?
The InChIKey is PWNGTPSDDFNGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-8-3-5(11-2)6(4-8)12(7,9)10/h5-6H,3-4H2,1-2H3,(H2,7,9,10).
What are the key properties of 4-methoxy-1-methylpyrrolidine-3-sulfonamide?
4-methoxy-1-methylpyrrolidine-3-sulfonamide has a molecular weight of 194.26 g/mol, XLogP of -1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 137403318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).