3-[(2-cyanophenyl)methylsulfonylamino]propanamide

C11H13N3O3S — CID 43553730

IUPAC3-[(2-cyanophenyl)methylsulfonylamino]propanamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCCC(N)=O
InChIInChI=1S/C11H13N3O3S/c12-7-9-3-1-2-4-10(9)8-18(16,17)14-6-5-11(13)15/h1-4,14H,5-6,8H2,(H2,13,15)
InChIKeySERLDQOWGMMIMK-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.15
Rot. Bonds6

About 3-[(2-cyanophenyl)methylsulfonylamino]propanamide

3-[(2-cyanophenyl)methylsulfonylamino]propanamide (PubChem CID 43553730) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[(2-cyanophenyl)methylsulfonylamino]propanamide.

Molecular Properties

Compound Name3-[(2-cyanophenyl)methylsulfonylamino]propanamide
PubChem CID43553730
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-[(2-cyanophenyl)methylsulfonylamino]propanamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCCC(N)=O
InChIInChI=1S/C11H13N3O3S/c12-7-9-3-1-2-4-10(9)8-18(16,17)14-6-5-11(13)15/h1-4,14H,5-6,8H2,(H2,13,15)
InChIKeySERLDQOWGMMIMK-UHFFFAOYSA-N
XLogP-0.15
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
4-[[2-(aminomethyl)phenyl]methylsulfonylamino]butanamide
CID 60865393
N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide
CID 61344906
1-(2-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115360457
1-[[(2-cyanophenyl)methylsulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445360
1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide
CID 64912022
2-[(2-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid
CID 43080450
2-[(2-cyanophenyl)methylsulfonylamino]-2-ethylbutanoic acid
CID 79814363
1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide
CID 103844643
4-[(2-cyanophenyl)methylsulfonylamino]-3-hydroxy-3-methylbutanoic acid
CID 66000966
1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide
CID 60729368
1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
CID 65231409

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenyl)methylsulfonylamino]propanamide?
The IUPAC name of 3-[(2-cyanophenyl)methylsulfonylamino]propanamide (CID 43553730) is 3-[(2-cyanophenyl)methylsulfonylamino]propanamide.
What is the SMILES notation for 3-[(2-cyanophenyl)methylsulfonylamino]propanamide?
The canonical SMILES for 3-[(2-cyanophenyl)methylsulfonylamino]propanamide is N#Cc1ccccc1CS(=O)(=O)NCCC(N)=O.
What is the InChIKey of 3-[(2-cyanophenyl)methylsulfonylamino]propanamide?
The InChIKey is SERLDQOWGMMIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c12-7-9-3-1-2-4-10(9)8-18(16,17)14-6-5-11(13)15/h1-4,14H,5-6,8H2,(H2,13,15).
What are the key properties of 3-[(2-cyanophenyl)methylsulfonylamino]propanamide?
3-[(2-cyanophenyl)methylsulfonylamino]propanamide has a molecular weight of 267.31 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenyl)methylsulfonylamino]propanamide is sourced from PubChem (CID 43553730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).