5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide

C13H26N4O3S — CID 106056421

IUPAC5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCN(C)CCOC)cc1CN
InChIInChI=1S/C13H26N4O3S/c1-4-17-11-13(9-12(17)10-14)21(18,19)15-5-6-16(2)7-8-20-3/h9,11,15H,4-8,10,14H2,1-3H3
InChIKeyLYNPKCHLAWTIHU-UHFFFAOYSA-N
MW318.44 g/mol
LogP-0.18
Rot. Bonds10

About 5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide

5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide (PubChem CID 106056421) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
PubChem CID106056421
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCN(C)CCOC)cc1CN
InChIInChI=1S/C13H26N4O3S/c1-4-17-11-13(9-12(17)10-14)21(18,19)15-5-6-16(2)7-8-20-3/h9,11,15H,4-8,10,14H2,1-3H3
InChIKeyLYNPKCHLAWTIHU-UHFFFAOYSA-N
XLogP-0.18
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-3-sulfonamide
CID 106095082
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide
CID 106074138
1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106055982
5-(aminomethyl)-1-ethyl-N-(4,4,4-trifluorobutyl)pyrrole-3-sulfonamide
CID 115522822
1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide
CID 106056409
5-(aminomethyl)-1-ethyl-N-(4-methylsulfanylbutyl)pyrrole-3-sulfonamide
CID 106078027
5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
CID 106093650
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide
CID 106094516
5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106056423

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide (CID 106056421) is 5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NCCN(C)CCOC)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide?
The InChIKey is LYNPKCHLAWTIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-4-17-11-13(9-12(17)10-14)21(18,19)15-5-6-16(2)7-8-20-3/h9,11,15H,4-8,10,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide?
5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of -0.18, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106056421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).