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

C11H17N5O2S — CID 106218637

IUPAC5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)c2cn[nH]c2)c[nH]1
InChIInChI=1S/C11H17N5O2S/c1-8(9-4-14-15-5-9)16-19(17,18)11-3-10(6-12-2)13-7-11/h3-5,7-8,12-13,16H,6H2,1-2H3,(H,14,15)
InChIKeyKVPLBWJDQNAJOA-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.50
Rot. Bonds6

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

5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106218637) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
PubChem CID106218637
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)c2cn[nH]c2)c[nH]1
InChIInChI=1S/C11H17N5O2S/c1-8(9-4-14-15-5-9)16-19(17,18)11-3-10(6-12-2)13-7-11/h3-5,7-8,12-13,16H,6H2,1-2H3,(H,14,15)
InChIKeyKVPLBWJDQNAJOA-UHFFFAOYSA-N
XLogP0.50
TPSA102.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylaminomethyl)-N-(1-pyridin-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106021006
N-[1-(3-fluorophenyl)ethyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106000327
4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106218494
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106050171
2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 106218496
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854165
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 106217923
N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106052189
N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 114142335
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106215347
3-amino-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208367

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide (CID 106218637) is 5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(C)c2cn[nH]c2)c[nH]1.
What is the InChIKey of 5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is KVPLBWJDQNAJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-8(9-4-14-15-5-9)16-19(17,18)11-3-10(6-12-2)13-7-11/h3-5,7-8,12-13,16H,6H2,1-2H3,(H,14,15).
What are the key properties of 5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide?
5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106218637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).