N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide

C10H18N2O3S — CID 55208605

IUPACN-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCC#N)C1CC1
InChIInChI=1S/C10H18N2O3S/c1-2-15-8-9-16(13,14)12(7-3-6-11)10-4-5-10/h10H,2-5,7-9H2,1H3
InChIKeyZKPLEHQRYZGJSC-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.73
Rot. Bonds8

About N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide

N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide (PubChem CID 55208605) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
PubChem CID55208605
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCC#N)C1CC1
InChIInChI=1S/C10H18N2O3S/c1-2-15-8-9-16(13,14)12(7-3-6-11)10-4-5-10/h10H,2-5,7-9H2,1H3
InChIKeyZKPLEHQRYZGJSC-UHFFFAOYSA-N
XLogP0.73
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide (CID 55208605) is N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)N(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide?
The InChIKey is ZKPLEHQRYZGJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-15-8-9-16(13,14)12(7-3-6-11)10-4-5-10/h10H,2-5,7-9H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide?
N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide is sourced from PubChem (CID 55208605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).