3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide

C8H15N3O3S — CID 106277324

IUPAC3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide
SMILESCC(C#N)S(=O)(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C8H15N3O3S/c1-6(4-9)15(13,14)11-5-8(2,3)7(10)12/h6,11H,5H2,1-3H3,(H2,10,12)
InChIKeyYHMCSJPNISOPPC-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.67
Rot. Bonds5

About 3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide

3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide (PubChem CID 106277324) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide
PubChem CID106277324
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide
SMILESCC(C#N)S(=O)(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C8H15N3O3S/c1-6(4-9)15(13,14)11-5-8(2,3)7(10)12/h6,11H,5H2,1-3H3,(H2,10,12)
InChIKeyYHMCSJPNISOPPC-UHFFFAOYSA-N
XLogP-0.67
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide
CID 106245470
1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide
CID 106252817
1-cyano-N-(2-iodoethyl)ethanesulfonamide
CID 106442112
2-[2-[(1-cyanoethylsulfonylamino)methyl]phenyl]acetic acid
CID 81318553
3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274839
3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427426
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104873880
(2S,3R)-2-(1-cyanoethylsulfonylamino)-3-hydroxybutanoic acid
CID 104965148
2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide
CID 106279964
2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide
CID 106278277
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate
CID 106276355

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide?
The IUPAC name of 3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide (CID 106277324) is 3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide is CC(C#N)S(=O)(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of 3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide?
The InChIKey is YHMCSJPNISOPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-6(4-9)15(13,14)11-5-8(2,3)7(10)12/h6,11H,5H2,1-3H3,(H2,10,12).
What are the key properties of 3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide?
3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide has a molecular weight of 233.29 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide is sourced from PubChem (CID 106277324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).