N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide

C12H21N3O2S — CID 113498847

IUPACN,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1cc(CNC)n(C)c1
InChIInChI=1S/C12H21N3O2S/c1-10(2)8-15(5)18(16,17)12-6-11(7-13-3)14(4)9-12/h6,9,13H,1,7-8H2,2-5H3
InChIKeyCHEJMCXFIDMUMF-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.94
Rot. Bonds6

About N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide

N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide (PubChem CID 113498847) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide
PubChem CID113498847
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1cc(CNC)n(C)c1
InChIInChI=1S/C12H21N3O2S/c1-10(2)8-15(5)18(16,17)12-6-11(7-13-3)14(4)9-12/h6,9,13H,1,7-8H2,2-5H3
InChIKeyCHEJMCXFIDMUMF-UHFFFAOYSA-N
XLogP0.94
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-1-methyl-5-(methylaminomethyl)-N-propan-2-ylpyrrole-3-sulfonamide
CID 82953193
N,1-dimethyl-N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 115988394
N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide
CID 81074914
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 106063695
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
1-methyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)pyrrole-3-sulfonamide
CID 106018909
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106089797
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1-methylpyrrol-2-yl]-N-methylmethanamine
CID 104961654
1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide
CID 106062551
3-chloro-4-cyano-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356116
5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide
CID 79865256
N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide
CID 115967817

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide?
The IUPAC name of N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide (CID 113498847) is N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide?
The canonical SMILES for N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide is C=C(C)CN(C)S(=O)(=O)c1cc(CNC)n(C)c1.
What is the InChIKey of N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide?
The InChIKey is CHEJMCXFIDMUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(2)8-15(5)18(16,17)12-6-11(7-13-3)14(4)9-12/h6,9,13H,1,7-8H2,2-5H3.
What are the key properties of N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide?
N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 113498847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).