1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide

C8H18N2O3S — CID 137403122

IUPAC1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide
SMILESCCN1CC(OC)C(S(=O)(=O)NC)C1
InChIInChI=1S/C8H18N2O3S/c1-4-10-5-7(13-3)8(6-10)14(11,12)9-2/h7-9H,4-6H2,1-3H3
InChIKeyBPGGKPKBLAARHP-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.75
Rot. Bonds4

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

1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide (PubChem CID 137403122) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide
PubChem CID137403122
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide
SMILESCCN1CC(OC)C(S(=O)(=O)NC)C1
InChIInChI=1S/C8H18N2O3S/c1-4-10-5-7(13-3)8(6-10)14(11,12)9-2/h7-9H,4-6H2,1-3H3
InChIKeyBPGGKPKBLAARHP-UHFFFAOYSA-N
XLogP-0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide (CID 137403122) is 1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide is CCN1CC(OC)C(S(=O)(=O)NC)C1.
What is the InChIKey of 1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide?
The InChIKey is BPGGKPKBLAARHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-4-10-5-7(13-3)8(6-10)14(11,12)9-2/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide?
1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 137403122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).