3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide

C13H17N3O4S — CID 106098233

IUPAC3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C13H17N3O4S/c1-13(2,7-12(14)18)16-21(19,20)11-6-10(4-3-5-17)8-15-9-11/h6,8-9,16-17H,5,7H2,1-2H3,(H2,14,18)
InChIKeySBPNLTYFNQYIAM-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.64
Rot. Bonds5

About 3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide

3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide (PubChem CID 106098233) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
PubChem CID106098233
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C13H17N3O4S/c1-13(2,7-12(14)18)16-21(19,20)11-6-10(4-3-5-17)8-15-9-11/h6,8-9,16-17H,5,7H2,1-2H3,(H2,14,18)
InChIKeySBPNLTYFNQYIAM-UHFFFAOYSA-N
XLogP-0.64
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide
CID 106098350
N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
CID 62199719
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 60823010
5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
CID 106407075
5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106897522
5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240785
5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106217869
N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54975137
4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106095780
5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094462
3-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095511

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide?
The IUPAC name of 3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide (CID 106098233) is 3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide is CC(C)(CC(N)=O)NS(=O)(=O)c1cncc(C#CCO)c1.
What is the InChIKey of 3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide?
The InChIKey is SBPNLTYFNQYIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-13(2,7-12(14)18)16-21(19,20)11-6-10(4-3-5-17)8-15-9-11/h6,8-9,16-17H,5,7H2,1-2H3,(H2,14,18).
What are the key properties of 3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide?
3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide has a molecular weight of 311.36 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 106098233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).