N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide

C7H18N2O6S2 — CID 57093246

IUPACN-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCOC(CO)NS(C)(=O)=O
InChIInChI=1S/C7H18N2O6S2/c1-16(11,12)8-4-3-5-15-7(6-10)9-17(2,13)14/h7-10H,3-6H2,1-2H3
InChIKeyDPVGPOMIBQXGEQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP-2.19
Rot. Bonds9

About N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide

N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide (PubChem CID 57093246) has the molecular formula C7H18N2O6S2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide
PubChem CID57093246
Molecular FormulaC7H18N2O6S2
Molecular Weight290.36 g/mol
Exact Mass290.06
IUPAC NameN-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCOC(CO)NS(C)(=O)=O
InChIInChI=1S/C7H18N2O6S2/c1-16(11,12)8-4-3-5-15-7(6-10)9-17(2,13)14/h7-10H,3-6H2,1-2H3
InChIKeyDPVGPOMIBQXGEQ-UHFFFAOYSA-N
XLogP-2.19
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide?
The IUPAC name of N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide (CID 57093246) is N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide is CS(=O)(=O)NCCCOC(CO)NS(C)(=O)=O.
What is the InChIKey of N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide?
The InChIKey is DPVGPOMIBQXGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O6S2/c1-16(11,12)8-4-3-5-15-7(6-10)9-17(2,13)14/h7-10H,3-6H2,1-2H3.
What are the key properties of N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide?
N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide has a molecular weight of 290.36 g/mol, XLogP of -2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide is sourced from PubChem (CID 57093246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).