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

C13H19N3O2S2 — CID 106050171

IUPAC5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)c2ccc(C)s2)c[nH]1
InChIInChI=1S/C13H19N3O2S2/c1-9-4-5-13(19-9)10(2)16-20(17,18)12-6-11(7-14-3)15-8-12/h4-6,8,10,14-16H,7H2,1-3H3
InChIKeyQJDHQUMMSGVLTJ-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.14
Rot. Bonds6

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

5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106050171) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide
PubChem CID106050171
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)c2ccc(C)s2)c[nH]1
InChIInChI=1S/C13H19N3O2S2/c1-9-4-5-13(19-9)10(2)16-20(17,18)12-6-11(7-14-3)15-8-12/h4-6,8,10,14-16H,7H2,1-3H3
InChIKeyQJDHQUMMSGVLTJ-UHFFFAOYSA-N
XLogP2.14
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106000327
5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106218637
5-(methylaminomethyl)-N-(1-pyridin-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106021006
N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 114142335
4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050209
N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106052189
5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106092051
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
CID 106050373
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 116791724
3-chloro-4-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 115590735
5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
CID 64607266
N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 61477904

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide (CID 106050171) is 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(C)c2ccc(C)s2)c[nH]1.
What is the InChIKey of 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is QJDHQUMMSGVLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-9-4-5-13(19-9)10(2)16-20(17,18)12-6-11(7-14-3)15-8-12/h4-6,8,10,14-16H,7H2,1-3H3.
What are the key properties of 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide?
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 313.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106050171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).