5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide

C13H25N3O2S2 — CID 106083952

IUPAC5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1cc(CN)n(C(C)C)c1
InChIInChI=1S/C13H25N3O2S2/c1-5-11(9-19-4)15-20(17,18)13-6-12(7-14)16(8-13)10(2)3/h6,8,10-11,15H,5,7,9,14H2,1-4H3
InChIKeyKZYLVWJSMCZWPJ-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.95
Rot. Bonds8

About 5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide (PubChem CID 106083952) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
PubChem CID106083952
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC Name5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1cc(CN)n(C(C)C)c1
InChIInChI=1S/C13H25N3O2S2/c1-5-11(9-19-4)15-20(17,18)13-6-12(7-14)16(8-13)10(2)3/h6,8,10-11,15H,5,7,9,14H2,1-4H3
InChIKeyKZYLVWJSMCZWPJ-UHFFFAOYSA-N
XLogP1.95
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide
CID 106055445
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106067591
5-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-propan-2-ylpyrrole-3-sulfonamide
CID 106093306
3-(aminomethyl)-4-ethoxy-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083858
5-(aminomethyl)-1-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-3-sulfonamide
CID 106013409
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrrole-3-sulfonamide
CID 106079056
5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106018970
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083935
5-(aminomethyl)-1-propan-2-yl-N-(thian-4-ylmethyl)pyrrole-3-sulfonamide
CID 106078628
5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide
CID 106064798
5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106083828

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide (CID 106083952) is 5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide is CCC(CSC)NS(=O)(=O)c1cc(CN)n(C(C)C)c1.
What is the InChIKey of 5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The InChIKey is KZYLVWJSMCZWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-5-11(9-19-4)15-20(17,18)13-6-12(7-14)16(8-13)10(2)3/h6,8,10-11,15H,5,7,9,14H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide has a molecular weight of 319.50 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106083952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).