3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol

C10H13N3O3S — CID 102821654

IUPAC3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol
SMILESCCNS(=O)(=O)Nc1cc(C#CCO)ccn1
InChIInChI=1S/C10H13N3O3S/c1-2-12-17(15,16)13-10-8-9(4-3-7-14)5-6-11-10/h5-6,8,12,14H,2,7H2,1H3,(H,11,13)
InChIKeyCVHDVYQNYUMNLE-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.31
Rot. Bonds4

About 3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol

3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol (PubChem CID 102821654) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol
PubChem CID102821654
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol
SMILESCCNS(=O)(=O)Nc1cc(C#CCO)ccn1
InChIInChI=1S/C10H13N3O3S/c1-2-12-17(15,16)13-10-8-9(4-3-7-14)5-6-11-10/h5-6,8,12,14H,2,7H2,1H3,(H,11,13)
InChIKeyCVHDVYQNYUMNLE-UHFFFAOYSA-N
XLogP-0.31
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.31
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

4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol
CID 102821691
3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811666
3-[3-ethyl-4-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114812002
3-[4-(ethylsulfamoylamino)-3-methylphenyl]prop-2-yn-1-ol
CID 114811692
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide
CID 102821632
1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide
CID 102821588
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide
CID 102821679
ethyl 3-[[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]sulfamoyl]propanoate
CID 102821599
2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine
CID 102821702
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-(oxolan-2-yl)methanesulfonamide
CID 102821586
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol (CID 102821654) is 3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol is CCNS(=O)(=O)Nc1cc(C#CCO)ccn1.
What is the InChIKey of 3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol?
The InChIKey is CVHDVYQNYUMNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-2-12-17(15,16)13-10-8-9(4-3-7-14)5-6-11-10/h5-6,8,12,14H,2,7H2,1H3,(H,11,13).
What are the key properties of 3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol?
3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol has a molecular weight of 255.30 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 102821654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).