N-cyano-N-propylmethanesulfonamide

C5H10N2O2S — CID 22259917

IUPACN-cyano-N-propylmethanesulfonamide
SMILESCCCN(C#N)S(C)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-3-4-7(5-6)10(2,8)9/h3-4H2,1-2H3
InChIKeyLALTVQWVQPPRHB-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.14
Rot. Bonds3

About N-cyano-N-propylmethanesulfonamide

N-cyano-N-propylmethanesulfonamide (PubChem CID 22259917) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N-cyano-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-cyano-N-propylmethanesulfonamide
PubChem CID22259917
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN-cyano-N-propylmethanesulfonamide
SMILESCCCN(C#N)S(C)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-3-4-7(5-6)10(2,8)9/h3-4H2,1-2H3
InChIKeyLALTVQWVQPPRHB-UHFFFAOYSA-N
XLogP0.14
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-cyano-N-ethylmethanesulfonamide
CID 22259908
N-bromo-N-propylmethanesulfonamide
CID 118574418
N-(cyanomethyl)-2-methylsulfonyl-N-propylpropanamide
CID 112686400
N-butyl-N-cyano-4-methylbenzenesulfonamide
CID 135043115
N-(hydroxymethyl)-N-propylmethanesulfonamide
CID 90392308
cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide
CID 134716120
N-(cyanomethyl)-N-propylsulfamoyl fluoride
CID 150564353
N-butyl-N-oct-1-ynylmethanesulfonamide
CID 11529018
[methylsulfonyl(propyl)amino] thiohypobromite
CID 18914760
N-chloro-N-methylmethanesulfonamide
CID 22136679
1-[amino(sulfamoyl)amino]propane
CID 90113026
N-methyl-N-propylpropane-1-sulfonamide
CID 59491856

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-propylmethanesulfonamide?
The IUPAC name of N-cyano-N-propylmethanesulfonamide (CID 22259917) is N-cyano-N-propylmethanesulfonamide.
What is the SMILES notation for N-cyano-N-propylmethanesulfonamide?
The canonical SMILES for N-cyano-N-propylmethanesulfonamide is CCCN(C#N)S(C)(=O)=O.
What is the InChIKey of N-cyano-N-propylmethanesulfonamide?
The InChIKey is LALTVQWVQPPRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-3-4-7(5-6)10(2,8)9/h3-4H2,1-2H3.
What are the key properties of N-cyano-N-propylmethanesulfonamide?
N-cyano-N-propylmethanesulfonamide has a molecular weight of 162.21 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-propylmethanesulfonamide is sourced from PubChem (CID 22259917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).