N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine

C14H27N3O2S — CID 79925459

IUPACN-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)S(=O)(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C14H27N3O2S/c1-12(10-15-13-5-6-13)20(18,19)17-9-8-16-7-3-2-4-14(16)11-17/h12-15H,2-11H2,1H3
InChIKeyLISNVXSWWJVMOR-UHFFFAOYSA-N
MW301.46 g/mol
LogP0.63
Rot. Bonds5

About N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine

N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine (PubChem CID 79925459) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine
PubChem CID79925459
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)S(=O)(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C14H27N3O2S/c1-12(10-15-13-5-6-13)20(18,19)17-9-8-16-7-3-2-4-14(16)11-17/h12-15H,2-11H2,1H3
InChIKeyLISNVXSWWJVMOR-UHFFFAOYSA-N
XLogP0.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonyl chloride
CID 115649520
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propanoic acid
CID 54947759
N-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine
CID 79936656
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]cyclohexanamine
CID 79945637
N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167834
N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 79936068
N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propyl]cyclopentanamine
CID 63151841
N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 63167031
1-(cyclopropylamino)-N-piperidin-1-ylpropane-2-sulfonamide
CID 106075218
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 79936055
1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 106052302

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine (CID 79925459) is N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine is CC(CNC1CC1)S(=O)(=O)N1CCN2CCCCC2C1.
What is the InChIKey of N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine?
The InChIKey is LISNVXSWWJVMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-12(10-15-13-5-6-13)20(18,19)17-9-8-16-7-3-2-4-14(16)11-17/h12-15H,2-11H2,1H3.
What are the key properties of N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine?
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine has a molecular weight of 301.46 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine is sourced from PubChem (CID 79925459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).