2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide

C10H19N3O3S — CID 114175317

IUPAC2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide
SMILESCCNS(=O)(=O)CCNC(=O)C(C)(C#N)CC
InChIInChI=1S/C10H19N3O3S/c1-4-10(3,8-11)9(14)12-6-7-17(15,16)13-5-2/h13H,4-7H2,1-3H3,(H,12,14)
InChIKeyXIELLPMTAOPWKB-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.02
Rot. Bonds7

About 2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide

2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide (PubChem CID 114175317) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide
PubChem CID114175317
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide
SMILESCCNS(=O)(=O)CCNC(=O)C(C)(C#N)CC
InChIInChI=1S/C10H19N3O3S/c1-4-10(3,8-11)9(14)12-6-7-17(15,16)13-5-2/h13H,4-7H2,1-3H3,(H,12,14)
InChIKeyXIELLPMTAOPWKB-UHFFFAOYSA-N
XLogP-0.02
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-ethyl-N-[2-(ethylsulfamoyl)ethyl]butanamide
CID 103840332
2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 114291661
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
2-cyano-2-methyl-N-(4-methylpentyl)butanamide
CID 114291478
4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 106334761
N-[2-(ethylsulfamoyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944363
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106335462
2-cyano-2-methyl-N-(2-methylbutyl)butanamide
CID 114291439
2-ethyl-2-methyl-3-oxobutanenitrile
CID 65393177
2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide
CID 113270371
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114174958

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide?
The IUPAC name of 2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide (CID 114175317) is 2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide is CCNS(=O)(=O)CCNC(=O)C(C)(C#N)CC.
What is the InChIKey of 2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide?
The InChIKey is XIELLPMTAOPWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-4-10(3,8-11)9(14)12-6-7-17(15,16)13-5-2/h13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide?
2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide has a molecular weight of 261.35 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 114175317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).