N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide

C8H20N2O6S2 — CID 58995661

IUPACN-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide
SMILESCS(=O)(=O)NCCCS(=O)(=O)NCCOCCO
InChIInChI=1S/C8H20N2O6S2/c1-17(12,13)9-3-2-8-18(14,15)10-4-6-16-7-5-11/h9-11H,2-8H2,1H3
InChIKeyXGOWHYVWZVLBFK-UHFFFAOYSA-N
MW304.39 g/mol
LogP-2.15
Rot. Bonds11

About N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide

N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide (PubChem CID 58995661) has the molecular formula C8H20N2O6S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide
PubChem CID58995661
Molecular FormulaC8H20N2O6S2
Molecular Weight304.39 g/mol
Exact Mass304.08
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide
SMILESCS(=O)(=O)NCCCS(=O)(=O)NCCOCCO
InChIInChI=1S/C8H20N2O6S2/c1-17(12,13)9-3-2-8-18(14,15)10-4-6-16-7-5-11/h9-11H,2-8H2,1H3
InChIKeyXGOWHYVWZVLBFK-UHFFFAOYSA-N
XLogP-2.15
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide (CID 58995661) is N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide is CS(=O)(=O)NCCCS(=O)(=O)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide?
The InChIKey is XGOWHYVWZVLBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O6S2/c1-17(12,13)9-3-2-8-18(14,15)10-4-6-16-7-5-11/h9-11H,2-8H2,1H3.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide?
N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide has a molecular weight of 304.39 g/mol, XLogP of -2.15, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide is sourced from PubChem (CID 58995661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).