4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol

C10H13N3O3S — CID 102821691

IUPAC4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol
SMILESCNS(=O)(=O)Nc1cc(C#CCCO)ccn1
InChIInChI=1S/C10H13N3O3S/c1-11-17(15,16)13-10-8-9(5-6-12-10)4-2-3-7-14/h5-6,8,11,14H,3,7H2,1H3,(H,12,13)
InChIKeyBYAHWVKNGBOXQT-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.31
Rot. Bonds4

About 4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol

4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol (PubChem CID 102821691) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol
PubChem CID102821691
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol
SMILESCNS(=O)(=O)Nc1cc(C#CCCO)ccn1
InChIInChI=1S/C10H13N3O3S/c1-11-17(15,16)13-10-8-9(5-6-12-10)4-2-3-7-14/h5-6,8,11,14H,3,7H2,1H3,(H,12,13)
InChIKeyBYAHWVKNGBOXQT-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

N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide
CID 102821679
2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine
CID 102821702
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide
CID 102821699
3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol
CID 102821654
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 102821240
1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide
CID 102821588
2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
CID 102821194
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
CID 102821245
4,4,4-trifluoro-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821162
3-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 60824271
1-ethyl-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 102821143
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide
CID 102821632

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol (CID 102821691) is 4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol is CNS(=O)(=O)Nc1cc(C#CCCO)ccn1.
What is the InChIKey of 4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol?
The InChIKey is BYAHWVKNGBOXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-11-17(15,16)13-10-8-9(5-6-12-10)4-2-3-7-14/h5-6,8,11,14H,3,7H2,1H3,(H,12,13).
What are the key properties of 4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol?
4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-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 4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol is sourced from PubChem (CID 102821691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).