[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol

C13H21N3O3S — CID 102789194

IUPAC[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNc1cc(S(=O)(=O)N2CCC(C)C2CO)ccn1
InChIInChI=1S/C13H21N3O3S/c1-3-14-13-8-11(4-6-15-13)20(18,19)16-7-5-10(2)12(16)9-17/h4,6,8,10,12,17H,3,5,7,9H2,1-2H3,(H,14,15)
InChIKeyDJXCAFWJJJCSEJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.90
Rot. Bonds5

About [1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol

[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789194) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is [1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789194
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNc1cc(S(=O)(=O)N2CCC(C)C2CO)ccn1
InChIInChI=1S/C13H21N3O3S/c1-3-14-13-8-11(4-6-15-13)20(18,19)16-7-5-10(2)12(16)9-17/h4,6,8,10,12,17H,3,5,7,9H2,1-2H3,(H,14,15)
InChIKeyDJXCAFWJJJCSEJ-UHFFFAOYSA-N
XLogP0.90
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789173
[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102789177
2-[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]piperidin-2-yl]ethanol
CID 62144222
1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337
4-(4-cyclopropylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62152286
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 102782223
[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786155
[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
CID 62164530
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine
CID 79933811
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzoic acid
CID 102778354
[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778534

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol (CID 102789194) is [1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol is CCNc1cc(S(=O)(=O)N2CCC(C)C2CO)ccn1.
What is the InChIKey of [1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is DJXCAFWJJJCSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-14-13-8-11(4-6-15-13)20(18,19)16-7-5-10(2)12(16)9-17/h4,6,8,10,12,17H,3,5,7,9H2,1-2H3,(H,14,15).
What are the key properties of [1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 299.40 g/mol, XLogP of 0.90, 5 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]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).