5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide

C13H24N4O2S2 — CID 106327409

IUPAC5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCN2CCSCC2)c[nH]1
InChIInChI=1S/C13H24N4O2S2/c1-2-14-10-12-9-13(11-15-12)21(18,19)16-3-4-17-5-7-20-8-6-17/h9,11,14-16H,2-8,10H2,1H3
InChIKeyIGZBUHZKBOLBKL-UHFFFAOYSA-N
MW332.50 g/mol
LogP0.45
Rot. Bonds8

About 5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106327409) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106327409
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCN2CCSCC2)c[nH]1
InChIInChI=1S/C13H24N4O2S2/c1-2-14-10-12-9-13(11-15-12)21(18,19)16-3-4-17-5-7-20-8-6-17/h9,11,14-16H,2-8,10H2,1H3
InChIKeyIGZBUHZKBOLBKL-UHFFFAOYSA-N
XLogP0.45
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106049758
5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106052912
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
CID 114141138
5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide
CID 106075562
N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide
CID 113234769
5-(ethylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106050955
5-(ethylaminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1H-pyrrole-3-sulfonamide
CID 106001839
5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106068071
4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327319
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide
CID 106327013
N-(2-imidazol-1-ylethyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106018145
4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106325962

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide (CID 106327409) is 5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCCN2CCSCC2)c[nH]1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is IGZBUHZKBOLBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-2-14-10-12-9-13(11-15-12)21(18,19)16-3-4-17-5-7-20-8-6-17/h9,11,14-16H,2-8,10H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 332.50 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106327409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).