N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide

C12H25N3O3S — CID 79924715

IUPACN-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
SMILESCN(CCCO)S(=O)(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C12H25N3O3S/c1-13(6-4-10-16)19(17,18)15-9-8-14-7-3-2-5-12(14)11-15/h12,16H,2-11H2,1H3
InChIKeyNCNCDOOHSCLJSB-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.28
Rot. Bonds5

About N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide

N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide (PubChem CID 79924715) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
PubChem CID79924715
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
SMILESCN(CCCO)S(=O)(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C12H25N3O3S/c1-13(6-4-10-16)19(17,18)15-9-8-14-7-3-2-5-12(14)11-15/h12,16H,2-11H2,1H3
InChIKeyNCNCDOOHSCLJSB-UHFFFAOYSA-N
XLogP-0.28
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
CID 79932436
N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 79936068
N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 79937523
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107198691
(8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 129461274
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonyl chloride
CID 115649520
(3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 95129932
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107198638
N-(5-hydroxypentyl)-N-methylpiperazine-1-sulfonamide
CID 107200583
N-butyl-4a-hydroxy-N-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-sulfonamide
CID 81103069
N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 54951889

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide (CID 79924715) is N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide is CN(CCCO)S(=O)(=O)N1CCN2CCCCC2C1.
What is the InChIKey of N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide?
The InChIKey is NCNCDOOHSCLJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-13(6-4-10-16)19(17,18)15-9-8-14-7-3-2-5-12(14)11-15/h12,16H,2-11H2,1H3.
What are the key properties of N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide?
N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide is sourced from PubChem (CID 79924715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).