5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide

C13H21N5O2S — CID 106009480

IUPAC5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)Cn2cccn2)cc1CN
InChIInChI=1S/C13H21N5O2S/c1-3-17-10-13(7-12(17)8-14)21(19,20)16-11(2)9-18-6-4-5-15-18/h4-7,10-11,16H,3,8-9,14H2,1-2H3
InChIKeyZTBJPHYCSNOIQS-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.53
Rot. Bonds7

About 5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide (PubChem CID 106009480) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
PubChem CID106009480
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)Cn2cccn2)cc1CN
InChIInChI=1S/C13H21N5O2S/c1-3-17-10-13(7-12(17)8-14)21(19,20)16-11(2)9-18-6-4-5-15-18/h4-7,10-11,16H,3,8-9,14H2,1-2H3
InChIKeyZTBJPHYCSNOIQS-UHFFFAOYSA-N
XLogP0.53
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009439
5-(aminomethyl)-1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009824
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrrole-3-sulfonamide
CID 106079056
4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106996794
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
3-amino-5-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322842
4-(aminomethyl)-2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106009441
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 61052500
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
5-(aminomethyl)-1-ethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051316

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide (CID 106009480) is 5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NC(C)Cn2cccn2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide?
The InChIKey is ZTBJPHYCSNOIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-3-17-10-13(7-12(17)8-14)21(19,20)16-11(2)9-18-6-4-5-15-18/h4-7,10-11,16H,3,8-9,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.53, 7 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-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106009480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).