N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide

C14H28N4O2S — CID 79936068

IUPACN-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
SMILESCN(CCCNC1CC1)S(=O)(=O)N1CCN2CCCC2C1
InChIInChI=1S/C14H28N4O2S/c1-16(8-3-7-15-13-5-6-13)21(19,20)18-11-10-17-9-2-4-14(17)12-18/h13-15H,2-12H2,1H3
InChIKeyQZSDMOCIKUPBOI-UHFFFAOYSA-N
MW316.47 g/mol
LogP0.09
Rot. Bonds7

About N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide

N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide (PubChem CID 79936068) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
PubChem CID79936068
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC NameN-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
SMILESCN(CCCNC1CC1)S(=O)(=O)N1CCN2CCCC2C1
InChIInChI=1S/C14H28N4O2S/c1-16(8-3-7-15-13-5-6-13)21(19,20)18-11-10-17-9-2-4-14(17)12-18/h13-15H,2-12H2,1H3
InChIKeyQZSDMOCIKUPBOI-UHFFFAOYSA-N
XLogP0.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide (CID 79936068) is N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide is CN(CCCNC1CC1)S(=O)(=O)N1CCN2CCCC2C1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
The InChIKey is QZSDMOCIKUPBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-16(8-3-7-15-13-5-6-13)21(19,20)18-11-10-17-9-2-4-14(17)12-18/h13-15H,2-12H2,1H3.
What are the key properties of N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide is sourced from PubChem (CID 79936068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).