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

C14H27N3O2S — CID 106055445

IUPAC5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CN)n(C(C)C)c1
InChIInChI=1S/C14H27N3O2S/c1-5-7-12(6-2)16-20(18,19)14-8-13(9-15)17(10-14)11(3)4/h8,10-12,16H,5-7,9,15H2,1-4H3
InChIKeyWLRRQNUYSGFWOC-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.38
Rot. Bonds8

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

5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide (PubChem CID 106055445) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide
PubChem CID106055445
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CN)n(C(C)C)c1
InChIInChI=1S/C14H27N3O2S/c1-5-7-12(6-2)16-20(18,19)14-8-13(9-15)17(10-14)11(3)4/h8,10-12,16H,5-7,9,15H2,1-4H3
InChIKeyWLRRQNUYSGFWOC-UHFFFAOYSA-N
XLogP2.38
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106083952
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106067591
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106055303
5-(aminomethyl)-1-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-3-sulfonamide
CID 106013409
5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106018970
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrrole-3-sulfonamide
CID 106079056
5-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-propan-2-ylpyrrole-3-sulfonamide
CID 106093306
5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide
CID 106008386
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
5-(aminomethyl)-1-propan-2-yl-N-(thian-4-ylmethyl)pyrrole-3-sulfonamide
CID 106078628
5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide
CID 106022477

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide (CID 106055445) is 5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide is CCCC(CC)NS(=O)(=O)c1cc(CN)n(C(C)C)c1.
What is the InChIKey of 5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide?
The InChIKey is WLRRQNUYSGFWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-5-7-12(6-2)16-20(18,19)14-8-13(9-15)17(10-14)11(3)4/h8,10-12,16H,5-7,9,15H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide has a molecular weight of 301.46 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106055445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).