5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide

C13H25N3O2S2 — CID 106064798

IUPAC5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)CSC)cc1CN
InChIInChI=1S/C13H25N3O2S2/c1-4-5-16-9-13(6-12(16)7-14)20(17,18)15-8-11(2)10-19-3/h6,9,11,15H,4-5,7-8,10,14H2,1-3H3
InChIKeyAVYBYDHCSHBRLR-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.63
Rot. Bonds9

About 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide (PubChem CID 106064798) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide
PubChem CID106064798
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC Name5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)CSC)cc1CN
InChIInChI=1S/C13H25N3O2S2/c1-4-5-16-9-13(6-12(16)7-14)20(17,18)15-8-11(2)10-19-3/h6,9,11,15H,4-5,7-8,10,14H2,1-3H3
InChIKeyAVYBYDHCSHBRLR-UHFFFAOYSA-N
XLogP1.63
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
CID 106083302
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106064827
5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide
CID 114141824
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106064792
5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide
CID 106084836
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106064892
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 62693061
N-(2-methoxypropyl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
CID 102701585
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)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
CID 106092589

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide (CID 106064798) is 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide is CCCn1cc(S(=O)(=O)NCC(C)CSC)cc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide?
The InChIKey is AVYBYDHCSHBRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-4-5-16-9-13(6-12(16)7-14)20(17,18)15-8-11(2)10-19-3/h6,9,11,15H,4-5,7-8,10,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide has a molecular weight of 319.50 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide is sourced from PubChem (CID 106064798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).