3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol

C12H17N3O3S — CID 114816389

IUPAC3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol
SMILESCC(C)CNS(=O)(=O)Nc1cccc(C#CCO)n1
InChIInChI=1S/C12H17N3O3S/c1-10(2)9-13-19(17,18)15-12-7-3-5-11(14-12)6-4-8-16/h3,5,7,10,13,16H,8-9H2,1-2H3,(H,14,15)
InChIKeyGUTPUXUKVKVMHW-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.33
Rot. Bonds5

About 3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol

3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol (PubChem CID 114816389) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol
PubChem CID114816389
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol
SMILESCC(C)CNS(=O)(=O)Nc1cccc(C#CCO)n1
InChIInChI=1S/C12H17N3O3S/c1-10(2)9-13-19(17,18)15-12-7-3-5-11(14-12)6-4-8-16/h3,5,7,10,13,16H,8-9H2,1-2H3,(H,14,15)
InChIKeyGUTPUXUKVKVMHW-UHFFFAOYSA-N
XLogP0.33
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol
CID 114811711
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonamide
CID 82842780
ethyl N-[[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]sulfamoyl]carbamate
CID 114465630
3-[2-(2-methylpropylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816371
ethyl 2-[[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]sulfamoyl]acetate
CID 61457398
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide
CID 63856620
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1H-pyrazole-5-sulfonamide
CID 102693734
(E)-3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-enoic acid
CID 114816709
3-[2-methyl-5-(2-methylpropylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816451
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide
CID 60814632
1-ethyl-3-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]urea
CID 60814714
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,2-dimethylbutanamide
CID 62677687

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol (CID 114816389) is 3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol is CC(C)CNS(=O)(=O)Nc1cccc(C#CCO)n1.
What is the InChIKey of 3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol?
The InChIKey is GUTPUXUKVKVMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-10(2)9-13-19(17,18)15-12-7-3-5-11(14-12)6-4-8-16/h3,5,7,10,13,16H,8-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol?
3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol has a molecular weight of 283.35 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 114816389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).