5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide

C13H24N4O3S — CID 106030588

IUPAC5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCN2CCOCC2)cc1CN
InChIInChI=1S/C13H24N4O3S/c1-16-11-13(9-12(16)10-14)21(18,19)15-3-2-4-17-5-7-20-8-6-17/h9,11,15H,2-8,10,14H2,1H3
InChIKeyVSRREOKIXKXMSD-UHFFFAOYSA-N
MW316.43 g/mol
LogP-0.52
Rot. Bonds7

About 5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide (PubChem CID 106030588) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide
PubChem CID106030588
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCN2CCOCC2)cc1CN
InChIInChI=1S/C13H24N4O3S/c1-16-11-13(9-12(16)10-14)21(18,19)15-3-2-4-17-5-7-20-8-6-17/h9,11,15H,2-8,10,14H2,1H3
InChIKeyVSRREOKIXKXMSD-UHFFFAOYSA-N
XLogP-0.52
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-1-methyl-N-(3-pyrazol-1-ylpropyl)pyrrole-3-sulfonamide
CID 106077067
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1-methylpyrrole-3-sulfonamide
CID 106001590
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234
1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 3078101
4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43348231
2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3138209
5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
CID 102915873
5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
CID 106002438
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide (CID 106030588) is 5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide is Cn1cc(S(=O)(=O)NCCCN2CCOCC2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide?
The InChIKey is VSRREOKIXKXMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-16-11-13(9-12(16)10-14)21(18,19)15-3-2-4-17-5-7-20-8-6-17/h9,11,15H,2-8,10,14H2,1H3.
What are the key properties of 5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106030588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).