1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide

C7H13ClN2O3S — CID 63664987

IUPAC1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)CCl
InChIInChI=1S/C7H13ClN2O3S/c1-13-6-5-10(4-2-3-9)14(11,12)7-8/h2,4-7H2,1H3
InChIKeyWVXDCVPCCLLNSI-UHFFFAOYSA-N
MW240.71 g/mol
LogP0.37
Rot. Bonds7

About 1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide

1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide (PubChem CID 63664987) has the molecular formula C7H13ClN2O3S and a molecular weight of 240.71 g/mol. Its IUPAC name is 1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide
PubChem CID63664987
Molecular FormulaC7H13ClN2O3S
Molecular Weight240.71 g/mol
Exact Mass240.03
IUPAC Name1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)CCl
InChIInChI=1S/C7H13ClN2O3S/c1-13-6-5-10(4-2-3-9)14(11,12)7-8/h2,4-7H2,1H3
InChIKeyWVXDCVPCCLLNSI-UHFFFAOYSA-N
XLogP0.37
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide (CID 63664987) is 1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide is COCCN(CCC#N)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide?
The InChIKey is WVXDCVPCCLLNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O3S/c1-13-6-5-10(4-2-3-9)14(11,12)7-8/h2,4-7H2,1H3.
What are the key properties of 1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide?
1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide has a molecular weight of 240.71 g/mol, XLogP of 0.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 63664987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).