1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol

C11H17N3O3S — CID 62942337

IUPAC1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
SMILESCCNc1cc(S(=O)(=O)N2CCC(O)C2)ccn1
InChIInChI=1S/C11H17N3O3S/c1-2-12-11-7-10(3-5-13-11)18(16,17)14-6-4-9(15)8-14/h3,5,7,9,15H,2,4,6,8H2,1H3,(H,12,13)
InChIKeyVMZJWUOFMZUVFY-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.27
Rot. Bonds4

About 1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol

1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol (PubChem CID 62942337) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
PubChem CID62942337
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
SMILESCCNc1cc(S(=O)(=O)N2CCC(O)C2)ccn1
InChIInChI=1S/C11H17N3O3S/c1-2-12-11-7-10(3-5-13-11)18(16,17)14-6-4-9(15)8-14/h3,5,7,9,15H,2,4,6,8H2,1H3,(H,12,13)
InChIKeyVMZJWUOFMZUVFY-UHFFFAOYSA-N
XLogP0.27
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol
CID 62153093
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
1-[[6-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 55130406
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine
CID 79933811
4-(4-cyclopropylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62152286
(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 107877670
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 55043507
[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789194
[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
CID 62164530
N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152799
[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
2-[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]piperidin-2-yl]ethanol
CID 62144222

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol (CID 62942337) is 1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol is CCNc1cc(S(=O)(=O)N2CCC(O)C2)ccn1.
What is the InChIKey of 1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The InChIKey is VMZJWUOFMZUVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-12-11-7-10(3-5-13-11)18(16,17)14-6-4-9(15)8-14/h3,5,7,9,15H,2,4,6,8H2,1H3,(H,12,13).
What are the key properties of 1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol?
1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol has a molecular weight of 271.34 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 62942337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).