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

C13H23N3O3S — CID 106092051

IUPAC5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)C2CCOCC2)c[nH]1
InChIInChI=1S/C13H23N3O3S/c1-10(11-3-5-19-6-4-11)16-20(17,18)13-7-12(8-14-2)15-9-13/h7,9-11,14-16H,3-6,8H2,1-2H3
InChIKeyDQTCHPICHQOUKW-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.83
Rot. Bonds6

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

5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106092051) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
PubChem CID106092051
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)C2CCOCC2)c[nH]1
InChIInChI=1S/C13H23N3O3S/c1-10(11-3-5-19-6-4-11)16-20(17,18)13-7-12(8-14-2)15-9-13/h7,9-11,14-16H,3-6,8H2,1-2H3
InChIKeyDQTCHPICHQOUKW-UHFFFAOYSA-N
XLogP0.83
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.83
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
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106084907
4-methyl-5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-2-sulfonamide
CID 106092072
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106050171
N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106052189
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092055
5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106218637
3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
CID 103768645
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
N-[1-(3-fluorophenyl)ethyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106000327
5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide
CID 114135299

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide (CID 106092051) is 5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(C)C2CCOCC2)c[nH]1.
What is the InChIKey of 5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is DQTCHPICHQOUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10(11-3-5-19-6-4-11)16-20(17,18)13-7-12(8-14-2)15-9-13/h7,9-11,14-16H,3-6,8H2,1-2H3.
What are the key properties of 5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide?
5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.83, 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-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106092051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).