4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine

C14H22N4O2S — CID 79933811

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine
SMILESCCNc1cc(S(=O)(=O)N2CCN3CCCC3C2)ccn1
InChIInChI=1S/C14H22N4O2S/c1-2-15-14-10-13(5-6-16-14)21(19,20)18-9-8-17-7-3-4-12(17)11-18/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,15,16)
InChIKeyLLAHUJCSLCMQSW-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.98
Rot. Bonds4

About 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine (PubChem CID 79933811) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine
PubChem CID79933811
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine
SMILESCCNc1cc(S(=O)(=O)N2CCN3CCCC3C2)ccn1
InChIInChI=1S/C14H22N4O2S/c1-2-15-14-10-13(5-6-16-14)21(19,20)18-9-8-17-7-3-4-12(17)11-18/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,15,16)
InChIKeyLLAHUJCSLCMQSW-UHFFFAOYSA-N
XLogP0.98
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-cyclopropylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62152286
1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol
CID 62153093
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 55043507
N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152799
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-N-ethylpyridin-2-amine
CID 63151728
4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 113228640
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-sulfonamide
CID 63275008
[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789194
2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
CID 63169095

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine (CID 79933811) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine is CCNc1cc(S(=O)(=O)N2CCN3CCCC3C2)ccn1.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine?
The InChIKey is LLAHUJCSLCMQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-15-14-10-13(5-6-16-14)21(19,20)18-9-8-17-7-3-4-12(17)11-18/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,15,16).
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine has a molecular weight of 310.42 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 79933811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).