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

C12H26N4O2S — CID 79932436

IUPACN-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C12H26N4O2S/c1-14(7-4-6-13)19(17,18)16-10-9-15-8-3-2-5-12(15)11-16/h12H,2-11,13H2,1H3
InChIKeyOLBCCHQKQNGQCG-UHFFFAOYSA-N
MW290.43 g/mol
LogP-0.32
Rot. Bonds5

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

N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide (PubChem CID 79932436) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
PubChem CID79932436
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC NameN-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C12H26N4O2S/c1-14(7-4-6-13)19(17,18)16-10-9-15-8-3-2-5-12(15)11-16/h12H,2-11,13H2,1H3
InChIKeyOLBCCHQKQNGQCG-UHFFFAOYSA-N
XLogP-0.32
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
CID 79924715
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-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 54951889
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propan-1-amine
CID 79938331
N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide
CID 61456581
N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
CID 112624880
N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide
CID 62973769
N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 103495211
(8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 129461274
(4aR,8aR)-N-(3-aminopropyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-sulfonamide
CID 102726076
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonyl chloride
CID 115649520

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide (CID 79932436) is N-(3-aminopropyl)-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-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide is CN(CCCN)S(=O)(=O)N1CCN2CCCCC2C1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide?
The InChIKey is OLBCCHQKQNGQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-14(7-4-6-13)19(17,18)16-10-9-15-8-3-2-5-12(15)11-16/h12H,2-11,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide?
N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide is sourced from PubChem (CID 79932436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).