5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide

C14H27N3O2S2 — CID 106064892

IUPAC5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)CSC)cn1C(C)C
InChIInChI=1S/C14H27N3O2S2/c1-11(2)17-9-14(6-13(17)8-15-4)21(18,19)16-7-12(3)10-20-5/h6,9,11-12,15-16H,7-8,10H2,1-5H3
InChIKeyRGZZIGPTTITCEA-UHFFFAOYSA-N
MW333.52 g/mol
LogP2.07
Rot. Bonds9

About 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide

5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide (PubChem CID 106064892) has the molecular formula C14H27N3O2S2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide
PubChem CID106064892
Molecular FormulaC14H27N3O2S2
Molecular Weight333.52 g/mol
Exact Mass333.15
IUPAC Name5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)CSC)cn1C(C)C
InChIInChI=1S/C14H27N3O2S2/c1-11(2)17-9-14(6-13(17)8-15-4)21(18,19)16-7-12(3)10-20-5/h6,9,11-12,15-16H,7-8,10H2,1-5H3
InChIKeyRGZZIGPTTITCEA-UHFFFAOYSA-N
XLogP2.07
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106064792
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide
CID 114141371
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106064827
5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106018970
5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide
CID 106064798
N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106091263
2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064886
2-bromo-5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064808
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 106063695
5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106083952
4-(2-methylsulfanylethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644614
N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 97326472

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide (CID 106064892) is 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NCC(C)CSC)cn1C(C)C.
What is the InChIKey of 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide?
The InChIKey is RGZZIGPTTITCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S2/c1-11(2)17-9-14(6-13(17)8-15-4)21(18,19)16-7-12(3)10-20-5/h6,9,11-12,15-16H,7-8,10H2,1-5H3.
What are the key properties of 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide?
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide has a molecular weight of 333.52 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106064892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).