N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane

C6H17NO4S — CID 160841846

IUPACN-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane
SMILESC.CS(=O)(=O)NCCOCCO
InChIInChI=1S/C5H13NO4S.CH4/c1-11(8,9)6-2-4-10-5-3-7;/h6-7H,2-5H2,1H3;1H4
InChIKeySIDFPXJIKIZRPC-UHFFFAOYSA-N
MW199.27 g/mol
LogP-0.82
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane

N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane (PubChem CID 160841846) has the molecular formula C6H17NO4S and a molecular weight of 199.27 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane
PubChem CID160841846
Molecular FormulaC6H17NO4S
Molecular Weight199.27 g/mol
Exact Mass199.09
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane
SMILESC.CS(=O)(=O)NCCOCCO
InChIInChI=1S/C5H13NO4S.CH4/c1-11(8,9)6-2-4-10-5-3-7;/h6-7H,2-5H2,1H3;1H4
InChIKeySIDFPXJIKIZRPC-UHFFFAOYSA-N
XLogP-0.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide
CID 62497981
1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide
CID 62498946
N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide
CID 23573805
2-(2-Aminoethoxy)-1-hydroxyethanesulfonamide
CID 54390742
N-[3-[2-hydroxy-1-(methanesulfonamido)ethoxy]propyl]methanesulfonamide
CID 57093246
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]methanesulfonamide
CID 58734331
N-[2-(2-hydroxyethoxy)ethyl]-3-(methanesulfonamido)propane-1-sulfonamide
CID 58995661
N-[4-(2-hydroxyethoxy)butyl]methanesulfonamide
CID 59257537
N-[2-(2-hydroxyethoxy)ethyl]-2-(methanesulfonamido)ethanesulfonamide
CID 59747327
N-[2-(2-methoxyethoxy)ethyl]methanesulfonamide
CID 60768268
N-[2-(2-hydroxyethoxy)ethyl]ethanesulfonamide
CID 62498131
N-[2-(2-hydroxyethoxy)ethyl]propane-2-sulfonamide
CID 62500392

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane (CID 160841846) is N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane is C.CS(=O)(=O)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane?
The InChIKey is SIDFPXJIKIZRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S.CH4/c1-11(8,9)6-2-4-10-5-3-7;/h6-7H,2-5H2,1H3;1H4.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane?
N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane has a molecular weight of 199.27 g/mol, XLogP of -0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane is sourced from PubChem (CID 160841846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).