N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

C13H22N4O2S — CID 106010727

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCN3CCCC23)c[nH]1
InChIInChI=1S/C13H22N4O2S/c1-14-8-10-7-11(9-15-10)20(18,19)16-12-4-6-17-5-2-3-13(12)17/h7,9,12-16H,2-6,8H2,1H3
InChIKeyMUYAYUJPXPMMBP-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.25
Rot. Bonds5

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106010727) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106010727
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCN3CCCC23)c[nH]1
InChIInChI=1S/C13H22N4O2S/c1-14-8-10-7-11(9-15-10)20(18,19)16-12-4-6-17-5-2-3-13(12)17/h7,9,12-16H,2-6,8H2,1H3
InChIKeyMUYAYUJPXPMMBP-UHFFFAOYSA-N
XLogP0.25
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 106024324
5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106082645
N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 114142335
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CID 63903096
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CID 61051569
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CID 62157554
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5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141354
5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106092051
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride
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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106010727) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2CCN3CCCC23)c[nH]1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is MUYAYUJPXPMMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-14-8-10-7-11(9-15-10)20(18,19)16-12-4-6-17-5-2-3-13(12)17/h7,9,12-16H,2-6,8H2,1H3.
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106010727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).