6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide

C18H30N4O2S — CID 133305726

IUPAC6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(N2CCN3CCCCC3C2)nc1
InChIInChI=1S/C18H30N4O2S/c1-3-15(4-2)20-25(23,24)17-8-9-18(19-13-17)22-12-11-21-10-6-5-7-16(21)14-22/h8-9,13,15-16,20H,3-7,10-12,14H2,1-2H3
InChIKeyBDRBMBGRRICMGL-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.22
Rot. Bonds6

About 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide (PubChem CID 133305726) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide
PubChem CID133305726
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(N2CCN3CCCCC3C2)nc1
InChIInChI=1S/C18H30N4O2S/c1-3-15(4-2)20-25(23,24)17-8-9-18(19-13-17)22-12-11-21-10-6-5-7-16(21)14-22/h8-9,13,15-16,20H,3-7,10-12,14H2,1-2H3
InChIKeyBDRBMBGRRICMGL-UHFFFAOYSA-N
XLogP2.22
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide with MolForge

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Related Compounds

5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 122106763
N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 55816286
1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine
CID 133292793
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281
4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 133454493
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide
CID 11638768
6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-pentan-3-ylpyridine-3-sulfonamide
CID 55816285
6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-pentan-3-ylpyridine-3-sulfonamide
CID 55816702
6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 57398843
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
CID 80635052

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide?
The IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide (CID 133305726) is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide is CCC(CC)NS(=O)(=O)c1ccc(N2CCN3CCCCC3C2)nc1.
What is the InChIKey of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide?
The InChIKey is BDRBMBGRRICMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-3-15(4-2)20-25(23,24)17-8-9-18(19-13-17)22-12-11-21-10-6-5-7-16(21)14-22/h8-9,13,15-16,20H,3-7,10-12,14H2,1-2H3.
What are the key properties of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide?
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 133305726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).