5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide

C14H25N3O3S — CID 106079946

IUPAC5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1cc(CNC2CC2)n(C)c1
InChIInChI=1S/C14H25N3O3S/c1-14(2,20-4)10-16-21(18,19)13-7-12(17(3)9-13)8-15-11-5-6-11/h7,9,11,15-16H,5-6,8,10H2,1-4H3
InChIKeyMTYOYJKPEBZXQC-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.98
Rot. Bonds8

About 5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 106079946) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
PubChem CID106079946
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1cc(CNC2CC2)n(C)c1
InChIInChI=1S/C14H25N3O3S/c1-14(2,20-4)10-16-21(18,19)13-7-12(17(3)9-13)8-15-11-5-6-11/h7,9,11,15-16H,5-6,8,10H2,1-4H3
InChIKeyMTYOYJKPEBZXQC-UHFFFAOYSA-N
XLogP0.98
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide
CID 106081951
5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 106083266
N-(2,2-dimethylbutyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 103466055
N-(4-ethylcyclohexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053101
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide
CID 106032739
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
1-methyl-N-(3-methylcyclopentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 114551865
1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide
CID 106065320
1-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106089956
3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
CID 113450286
3-cyano-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650765
4-[(cyclopropylamino)methyl]-N-(2-ethoxy-2-methylpropyl)thiophene-2-sulfonamide
CID 106086794

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide (CID 106079946) is 5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide is COC(C)(C)CNS(=O)(=O)c1cc(CNC2CC2)n(C)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is MTYOYJKPEBZXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-14(2,20-4)10-16-21(18,19)13-7-12(17(3)9-13)8-15-11-5-6-11/h7,9,11,15-16H,5-6,8,10H2,1-4H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 106079946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).