N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide

C13H26N4O2S — CID 106074488

IUPACN-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)CN(C)C)cc1CNC
InChIInChI=1S/C13H26N4O2S/c1-6-17-10-13(7-12(17)8-14-3)20(18,19)15-11(2)9-16(4)5/h7,10-11,14-15H,6,8-9H2,1-5H3
InChIKeyRJEUIHALKMHEIE-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.46
Rot. Bonds8

About N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide

N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 106074488) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
PubChem CID106074488
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)CN(C)C)cc1CNC
InChIInChI=1S/C13H26N4O2S/c1-6-17-10-13(7-12(17)8-14-3)20(18,19)15-11(2)9-16(4)5/h7,10-11,14-15H,6,8-9H2,1-5H3
InChIKeyRJEUIHALKMHEIE-UHFFFAOYSA-N
XLogP0.46
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 82944674
1-ethyl-5-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051433
1-ethyl-5-(methylaminomethyl)-N-(1-methylcyclopropyl)pyrrole-3-sulfonamide
CID 113486202
1-ethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106079700
1-ethyl-N-(1-methoxypropan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106057163
N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
CID 106067568
1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
CID 106031575
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 82925470
1-ethyl-5-(methylaminomethyl)-N-pyrimidin-2-ylpyrrole-3-sulfonamide
CID 106072059
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
1-ethyl-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)pyrrole-3-sulfonamide
CID 106067660
N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 106065897

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide (CID 106074488) is N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NC(C)CN(C)C)cc1CNC.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is RJEUIHALKMHEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-6-17-10-13(7-12(17)8-14-3)20(18,19)15-11(2)9-16(4)5/h7,10-11,14-15H,6,8-9H2,1-5H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106074488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).