1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide

C15H29N3O2S — CID 106017012

IUPAC1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCCCC(C)C)cn1C
InChIInChI=1S/C15H29N3O2S/c1-5-8-16-11-14-10-15(12-18(14)4)21(19,20)17-9-6-7-13(2)3/h10,12-13,16-17H,5-9,11H2,1-4H3
InChIKeyJLQWIAQLQSQKLU-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.24
Rot. Bonds10

About 1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide

1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 106017012) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
PubChem CID106017012
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCCCC(C)C)cn1C
InChIInChI=1S/C15H29N3O2S/c1-5-8-16-11-14-10-15(12-18(14)4)21(19,20)17-9-6-7-13(2)3/h10,12-13,16-17H,5-9,11H2,1-4H3
InChIKeyJLQWIAQLQSQKLU-UHFFFAOYSA-N
XLogP2.24
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(2-methyl-3-methylsulfanylpropyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106064827
N-(2-ethoxypropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106078809
5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide
CID 115327459
N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106050793
N-(2,2-dimethylbutyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 103466055
N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
CID 106017597
1-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 81176980
N-(2-methylsulfanylethyl)-1-propyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106063787
1-methyl-N-(3-methylcyclopentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 114551865
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 106063695
N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 107818779
N-(4-methoxybutyl)-1-methyl-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106054022

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide (CID 106017012) is 1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NCCCC(C)C)cn1C.
What is the InChIKey of 1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is JLQWIAQLQSQKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-5-8-16-11-14-10-15(12-18(14)4)21(19,20)17-9-6-7-13(2)3/h10,12-13,16-17H,5-9,11H2,1-4H3.
What are the key properties of 1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide?
1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 315.48 g/mol, XLogP of 2.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106017012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).