N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

C12H21N3O2S — CID 114142335

IUPACN-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)C2CCC2)c[nH]1
InChIInChI=1S/C12H21N3O2S/c1-9(10-4-3-5-10)15-18(16,17)12-6-11(7-13-2)14-8-12/h6,8-10,13-15H,3-5,7H2,1-2H3
InChIKeyUKEPGSMVIPCPFZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.20
Rot. Bonds6

About N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 114142335) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID114142335
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)C2CCC2)c[nH]1
InChIInChI=1S/C12H21N3O2S/c1-9(10-4-3-5-10)15-18(16,17)12-6-11(7-13-2)14-8-12/h6,8-10,13-15H,3-5,7H2,1-2H3
InChIKeyUKEPGSMVIPCPFZ-UHFFFAOYSA-N
XLogP1.20
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106092051
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106084907
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
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-(1-cyclobutylethyl)-4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084928
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106218637
N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106084917
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106073994
N-[1-(3-fluorophenyl)ethyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106000327
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106010727

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 114142335) is N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(C)C2CCC2)c[nH]1.
What is the InChIKey of N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is UKEPGSMVIPCPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(10-4-3-5-10)15-18(16,17)12-6-11(7-13-2)14-8-12/h6,8-10,13-15H,3-5,7H2,1-2H3.
What are the key properties of N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 114142335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).