3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol

C15H20N2O3S — CID 62331288

IUPAC3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
SMILESCC1CCN(S(=O)(=O)c2cncc(C#CCO)c2)C(C)C1
InChIInChI=1S/C15H20N2O3S/c1-12-5-6-17(13(2)8-12)21(19,20)15-9-14(4-3-7-18)10-16-11-15/h9-13,18H,5-8H2,1-2H3
InChIKeyWJEGTUARKKJWRW-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.23
Rot. Bonds2

About 3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol

3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol (PubChem CID 62331288) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
PubChem CID62331288
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
SMILESCC1CCN(S(=O)(=O)c2cncc(C#CCO)c2)C(C)C1
InChIInChI=1S/C15H20N2O3S/c1-12-5-6-17(13(2)8-12)21(19,20)15-9-14(4-3-7-18)10-16-11-15/h9-13,18H,5-8H2,1-2H3
InChIKeyWJEGTUARKKJWRW-UHFFFAOYSA-N
XLogP1.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
CID 103537133
1-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
CID 103357674
3-[5-(3,4-dimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine
CID 63603722
N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide
CID 63655761
1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942147
[1-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 115966572
N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
CID 64522418
3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64602085
5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094462
5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107415019
3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62332456
3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106098233

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol (CID 62331288) is 3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol is CC1CCN(S(=O)(=O)c2cncc(C#CCO)c2)C(C)C1.
What is the InChIKey of 3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol?
The InChIKey is WJEGTUARKKJWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-12-5-6-17(13(2)8-12)21(19,20)15-9-14(4-3-7-18)10-16-11-15/h9-13,18H,5-8H2,1-2H3.
What are the key properties of 3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol?
3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol has a molecular weight of 308.40 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 62331288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).