5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide

C10H19N3O2S — CID 106046504

IUPAC5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C10H19N3O2S/c1-3-4-8(2)13-16(14,15)10-5-9(6-11)12-7-10/h5,7-8,12-13H,3-4,6,11H2,1-2H3
InChIKeyNYWLFQMRWXKKFL-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.94
Rot. Bonds6

About 5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide (PubChem CID 106046504) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
PubChem CID106046504
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C10H19N3O2S/c1-3-4-8(2)13-16(14,15)10-5-9(6-11)12-7-10/h5,7-8,12-13H,3-4,6,11H2,1-2H3
InChIKeyNYWLFQMRWXKKFL-UHFFFAOYSA-N
XLogP0.94
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141494
5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141293
4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780827
5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106009233
5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide
CID 102915798
3-(aminomethyl)-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046576
5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106022849
5-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114142080
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide
CID 106022501
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114102370
N-[1-(diethylamino)propan-2-yl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106052189

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide (CID 106046504) is 5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide is CCCC(C)NS(=O)(=O)c1c[nH]c(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide?
The InChIKey is NYWLFQMRWXKKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-4-8(2)13-16(14,15)10-5-9(6-11)12-7-10/h5,7-8,12-13H,3-4,6,11H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106046504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).