5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide

C13H19N5O2S — CID 106092589

IUPAC5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCc2ccncn2)cc1CN
InChIInChI=1S/C13H19N5O2S/c1-2-5-18-9-13(6-12(18)7-14)21(19,20)17-8-11-3-4-15-10-16-11/h3-4,6,9-10,17H,2,5,7-8,14H2,1H3
InChIKeyFVIUDDKFMQFNMW-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.63
Rot. Bonds7

About 5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide (PubChem CID 106092589) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
PubChem CID106092589
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCc2ccncn2)cc1CN
InChIInChI=1S/C13H19N5O2S/c1-2-5-18-9-13(6-12(18)7-14)21(19,20)17-8-11-3-4-15-10-16-11/h3-4,6,9-10,17H,2,5,7-8,14H2,1H3
InChIKeyFVIUDDKFMQFNMW-UHFFFAOYSA-N
XLogP0.63
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
CID 106001980
5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide
CID 107658144
5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide
CID 114141824
5-(aminomethyl)-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-3-sulfonamide
CID 106020628
5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide
CID 106064798
1-[3-(methylamino)propyl]-N-(pyrimidin-4-ylmethyl)pyrazole-4-sulfonamide
CID 106092563
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
CID 106091174
5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrrole-3-sulfonamide
CID 106094824
5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106088937
5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-1-propylpyrrole-3-sulfonamide
CID 106078423
5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide
CID 114111350
4-chloro-3-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)benzenesulfonamide
CID 106092537

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide (CID 106092589) is 5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide is CCCn1cc(S(=O)(=O)NCc2ccncn2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide?
The InChIKey is FVIUDDKFMQFNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-2-5-18-9-13(6-12(18)7-14)21(19,20)17-8-11-3-4-15-10-16-11/h3-4,6,9-10,17H,2,5,7-8,14H2,1H3.
What are the key properties of 5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106092589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).