5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide

C14H26N4O2S — CID 106082645

IUPAC5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCC2CCN(C)CC2)c[nH]1
InChIInChI=1S/C14H26N4O2S/c1-15-10-13-9-14(11-16-13)21(19,20)17-6-3-12-4-7-18(2)8-5-12/h9,11-12,15-17H,3-8,10H2,1-2H3
InChIKeyPQKWHBGPEBJSJR-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.74
Rot. Bonds7

About 5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide

5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106082645) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
PubChem CID106082645
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCC2CCN(C)CC2)c[nH]1
InChIInChI=1S/C14H26N4O2S/c1-15-10-13-9-14(11-16-13)21(19,20)17-6-3-12-4-7-18(2)8-5-12/h9,11-12,15-17H,3-8,10H2,1-2H3
InChIKeyPQKWHBGPEBJSJR-UHFFFAOYSA-N
XLogP0.74
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106052912
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
N-[(1,1-dioxothiolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106016768
5-(methylaminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106073600
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106010727
5-(methylaminomethyl)-N-(4-methylsulfanylbutyl)-1H-pyrrole-3-sulfonamide
CID 106078000
4-amino-3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514910
N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 56921270
4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitrobenzenesulfonamide
CID 99586238
5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114142660
N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
CID 106014648
N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 114142335

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide (CID 106082645) is 5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NCCC2CCN(C)CC2)c[nH]1.
What is the InChIKey of 5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is PQKWHBGPEBJSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-15-10-13-9-14(11-16-13)21(19,20)17-6-3-12-4-7-18(2)8-5-12/h9,11-12,15-17H,3-8,10H2,1-2H3.
What are the key properties of 5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide?
5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106082645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).