methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate

C10H11N3O4S — CID 114613820

IUPACmethyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C10H11N3O4S/c1-7(10(14)17-2)13-18(15,16)9-4-3-8(5-11)12-6-9/h3-4,6-7,13H,1-2H3
InChIKeyYSDOFMKJPWFYQR-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.21
Rot. Bonds4

About methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate

methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate (PubChem CID 114613820) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate
PubChem CID114613820
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Namemethyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C10H11N3O4S/c1-7(10(14)17-2)13-18(15,16)9-4-3-8(5-11)12-6-9/h3-4,6-7,13H,1-2H3
InChIKeyYSDOFMKJPWFYQR-UHFFFAOYSA-N
XLogP-0.21
TPSA109.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 114613924
N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide
CID 114612845
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylpropanamide
CID 113229697
6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 115753732
N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide
CID 115752512
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2-hydroxypropanamide
CID 114153229
(2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid
CID 104935609
methyl (2S)-2-[(3-chloro-4-cyanophenyl)sulfonylamino]propanoate
CID 87040378
methyl 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoate
CID 63288587
2-[2-[(6-cyano-3-pyridinyl)sulfonylamino]ethoxy]acetamide
CID 103837965
6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115616292
6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 115602456

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate (CID 114613820) is methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate is COC(=O)C(C)NS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate?
The InChIKey is YSDOFMKJPWFYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-7(10(14)17-2)13-18(15,16)9-4-3-8(5-11)12-6-9/h3-4,6-7,13H,1-2H3.
What are the key properties of methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate?
methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate has a molecular weight of 269.28 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate is sourced from PubChem (CID 114613820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).