N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

C13H26N4O2S — CID 106052189

IUPACN-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCN(CC)CC(C)NS(=O)(=O)c1c[nH]c(CNC)c1
InChIInChI=1S/C13H26N4O2S/c1-5-17(6-2)10-11(3)16-20(18,19)13-7-12(8-14-4)15-9-13/h7,9,11,14-16H,5-6,8,10H2,1-4H3
InChIKeyXBUUPJPUPXZLSZ-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.74
Rot. Bonds9

About N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106052189) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106052189
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC NameN-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCN(CC)CC(C)NS(=O)(=O)c1c[nH]c(CNC)c1
InChIInChI=1S/C13H26N4O2S/c1-5-17(6-2)10-11(3)16-20(18,19)13-7-12(8-14-4)15-9-13/h7,9,11,14-16H,5-6,8,10H2,1-4H3
InChIKeyXBUUPJPUPXZLSZ-UHFFFAOYSA-N
XLogP0.74
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 114142335
5-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114142080
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106050171
5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106218637
5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106092051
N-[1-(3-fluorophenyl)ethyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106000327
5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
CID 106046504
5-(methylaminomethyl)-N-(1-pyridin-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106021006
N-[1-(diethylamino)propan-2-yl]-2-(methylamino)pyridine-4-sulfonamide
CID 62158114
5-(ethylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106050955
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
2-amino-N-[1-(diethylamino)propan-2-yl]pyridine-4-sulfonamide
CID 62158649

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106052189) is N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is CCN(CC)CC(C)NS(=O)(=O)c1c[nH]c(CNC)c1.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is XBUUPJPUPXZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-5-17(6-2)10-11(3)16-20(18,19)13-7-12(8-14-4)15-9-13/h7,9,11,14-16H,5-6,8,10H2,1-4H3.
What are the key properties of N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106052189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).