1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine

C14H28N4O2S — CID 79936055

IUPAC1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)N1CCN2CCCC2C1
InChIInChI=1S/C14H28N4O2S/c1-15-11-13-5-2-3-8-18(13)21(19,20)17-10-9-16-7-4-6-14(16)12-17/h13-15H,2-12H2,1H3
InChIKeyDISWJQGFYUKVFO-UHFFFAOYSA-N
MW316.47 g/mol
LogP0.09
Rot. Bonds4

About 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine

1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine (PubChem CID 79936055) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
PubChem CID79936055
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)N1CCN2CCCC2C1
InChIInChI=1S/C14H28N4O2S/c1-15-11-13-5-2-3-8-18(13)21(19,20)17-10-9-16-7-4-6-14(16)12-17/h13-15H,2-12H2,1H3
InChIKeyDISWJQGFYUKVFO-UHFFFAOYSA-N
XLogP0.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine with MolForge

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Related Compounds

1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 103541585
N-methyl-1-[(2R)-1-[(2S)-2-methylmorpholin-4-yl]sulfonylpyrrolidin-2-yl]methanamine
CID 124687548
N-methyl-1-[(2R)-1-[(2R)-2-methylmorpholin-4-yl]sulfonylpyrrolidin-2-yl]methanamine
CID 125147172
N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
CID 83045255
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 82751229
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonyl chloride
CID 115649520
1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 112746994
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106010976
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
CID 115562927
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidine-3-carboxylic acid
CID 60950372

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine (CID 79936055) is 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1S(=O)(=O)N1CCN2CCCC2C1.
What is the InChIKey of 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine?
The InChIKey is DISWJQGFYUKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-15-11-13-5-2-3-8-18(13)21(19,20)17-10-9-16-7-4-6-14(16)12-17/h13-15H,2-12H2,1H3.
What are the key properties of 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine?
1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine has a molecular weight of 316.47 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 79936055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).