1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide

C7H14N2O4S — CID 104600508

IUPAC1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCCCOCCO
InChIInChI=1S/C7H14N2O4S/c8-2-7-14(11,12)9-3-1-5-13-6-4-10/h9-10H,1,3-7H2
InChIKeyJNDWGXOCVGLBQP-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.17
Rot. Bonds8

About 1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide

1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide (PubChem CID 104600508) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide
PubChem CID104600508
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCCCOCCO
InChIInChI=1S/C7H14N2O4S/c8-2-7-14(11,12)9-3-1-5-13-6-4-10/h9-10H,1,3-7H2
InChIKeyJNDWGXOCVGLBQP-UHFFFAOYSA-N
XLogP-1.17
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide
CID 104600551
N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide
CID 104600558
N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
CID 114135466
1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane
CID 104600519
N-[2-(2-hydroxyethoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82842853
5-formyl-N-[3-(2-hydroxyethoxy)propyl]furan-2-sulfonamide
CID 114172010
3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
CID 106309635
3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308661
3-[3-(2-hydroxyethoxy)propylsulfamoyl]benzoic acid
CID 106305240
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-amino-N-[3-(2-hydroxyethoxy)propyl]-3,6-dimethylbenzenesulfonamide
CID 106308656

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide (CID 104600508) is 1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide is N#CCS(=O)(=O)NCCCOCCO.
What is the InChIKey of 1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide?
The InChIKey is JNDWGXOCVGLBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c8-2-7-14(11,12)9-3-1-5-13-6-4-10/h9-10H,1,3-7H2.
What are the key properties of 1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide?
1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide has a molecular weight of 222.27 g/mol, XLogP of -1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide is sourced from PubChem (CID 104600508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).