2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C14H21N3O3S — CID 103307057

IUPAC2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCCNc1cccnc1S(=O)(=O)N1CC2CCC(O)C2C1
InChIInChI=1S/C14H21N3O3S/c1-2-15-12-4-3-7-16-14(12)21(19,20)17-8-10-5-6-13(18)11(10)9-17/h3-4,7,10-11,13,15,18H,2,5-6,8-9H2,1H3
InChIKeyGXBLXFFLQOGVNY-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.90
Rot. Bonds4

About 2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 103307057) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID103307057
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCCNc1cccnc1S(=O)(=O)N1CC2CCC(O)C2C1
InChIInChI=1S/C14H21N3O3S/c1-2-15-12-4-3-7-16-14(12)21(19,20)17-8-10-5-6-13(18)11(10)9-17/h3-4,7,10-11,13,15,18H,2,5-6,8-9H2,1H3
InChIKeyGXBLXFFLQOGVNY-UHFFFAOYSA-N
XLogP0.90
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol with MolForge

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Related Compounds

N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine
CID 103306417
N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103307176
2-(2,5-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-3-amine
CID 103306376
4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 103306494
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine
CID 103305199
1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol
CID 103305498
N-ethyl-2-(2-methylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103302961
N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103303691
2-(4-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303589
N-cyclopropyl-3-(ethylamino)-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103305175
2-(3-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303754
[2-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103302119

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 103307057) is 2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is CCNc1cccnc1S(=O)(=O)N1CC2CCC(O)C2C1.
What is the InChIKey of 2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is GXBLXFFLQOGVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-15-12-4-3-7-16-14(12)21(19,20)17-8-10-5-6-13(18)11(10)9-17/h3-4,7,10-11,13,15,18H,2,5-6,8-9H2,1H3.
What are the key properties of 2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 311.41 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 103307057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).