N,N-bis(2-methoxyethyl)propane-2-sulfonamide

C9H21NO4S — CID 58603338

IUPACN,N-bis(2-methoxyethyl)propane-2-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO4S/c1-9(2)15(11,12)10(5-7-13-3)6-8-14-4/h9H,5-8H2,1-4H3
InChIKeyPLQDVTAXAGKCJX-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.32
Rot. Bonds8

About N,N-bis(2-methoxyethyl)propane-2-sulfonamide

N,N-bis(2-methoxyethyl)propane-2-sulfonamide (PubChem CID 58603338) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)propane-2-sulfonamide
PubChem CID58603338
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC NameN,N-bis(2-methoxyethyl)propane-2-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO4S/c1-9(2)15(11,12)10(5-7-13-3)6-8-14-4/h9H,5-8H2,1-4H3
InChIKeyPLQDVTAXAGKCJX-UHFFFAOYSA-N
XLogP0.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)propane-2-sulfonamide?
The IUPAC name of N,N-bis(2-methoxyethyl)propane-2-sulfonamide (CID 58603338) is N,N-bis(2-methoxyethyl)propane-2-sulfonamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)propane-2-sulfonamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)propane-2-sulfonamide is COCCN(CCOC)S(=O)(=O)C(C)C.
What is the InChIKey of N,N-bis(2-methoxyethyl)propane-2-sulfonamide?
The InChIKey is PLQDVTAXAGKCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-9(2)15(11,12)10(5-7-13-3)6-8-14-4/h9H,5-8H2,1-4H3.
What are the key properties of N,N-bis(2-methoxyethyl)propane-2-sulfonamide?
N,N-bis(2-methoxyethyl)propane-2-sulfonamide has a molecular weight of 239.34 g/mol, XLogP of 0.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)propane-2-sulfonamide is sourced from PubChem (CID 58603338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).