2-methoxy-N-(3-methoxypropyl)ethanesulfonamide

C7H17NO4S — CID 110300092

IUPAC2-methoxy-N-(3-methoxypropyl)ethanesulfonamide
SMILESCOCCCNS(=O)(=O)CCOC
InChIInChI=1S/C7H17NO4S/c1-11-5-3-4-8-13(9,10)7-6-12-2/h8H,3-7H2,1-2H3
InChIKeyYAWUYZKXVHUOJB-UHFFFAOYSA-N
MW211.28 g/mol
LogP-0.41
Rot. Bonds8

About 2-methoxy-N-(3-methoxypropyl)ethanesulfonamide

2-methoxy-N-(3-methoxypropyl)ethanesulfonamide (PubChem CID 110300092) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-methoxy-N-(3-methoxypropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methoxypropyl)ethanesulfonamide
PubChem CID110300092
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC Name2-methoxy-N-(3-methoxypropyl)ethanesulfonamide
SMILESCOCCCNS(=O)(=O)CCOC
InChIInChI=1S/C7H17NO4S/c1-11-5-3-4-8-13(9,10)7-6-12-2/h8H,3-7H2,1-2H3
InChIKeyYAWUYZKXVHUOJB-UHFFFAOYSA-N
XLogP-0.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methoxypropyl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(3-methoxypropyl)ethanesulfonamide (CID 110300092) is 2-methoxy-N-(3-methoxypropyl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(3-methoxypropyl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(3-methoxypropyl)ethanesulfonamide is COCCCNS(=O)(=O)CCOC.
What is the InChIKey of 2-methoxy-N-(3-methoxypropyl)ethanesulfonamide?
The InChIKey is YAWUYZKXVHUOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S/c1-11-5-3-4-8-13(9,10)7-6-12-2/h8H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-N-(3-methoxypropyl)ethanesulfonamide?
2-methoxy-N-(3-methoxypropyl)ethanesulfonamide has a molecular weight of 211.28 g/mol, XLogP of -0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methoxypropyl)ethanesulfonamide is sourced from PubChem (CID 110300092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).