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

C13H24N4O2S — CID 106009233

IUPAC5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCC(CN1CCCCC1)NS(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C13H24N4O2S/c1-11(10-17-5-3-2-4-6-17)16-20(18,19)13-7-12(8-14)15-9-13/h7,9,11,15-16H,2-6,8,10,14H2,1H3
InChIKeyOZGWIDWKUNWALH-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.63
Rot. Bonds6

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

5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 106009233) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
PubChem CID106009233
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCC(CN1CCCCC1)NS(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C13H24N4O2S/c1-11(10-17-5-3-2-4-6-17)16-20(18,19)13-7-12(8-14)15-9-13/h7,9,11,15-16H,2-6,8,10,14H2,1H3
InChIKeyOZGWIDWKUNWALH-UHFFFAOYSA-N
XLogP0.63
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106050955
5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
CID 106046504
N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61275215
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141494
3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 63322579
5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141293
3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471821
3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471703
3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 106611588
5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 106050950
4-amino-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 79568745
4-(aminomethyl)-2,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)furan-3-sulfonamide
CID 106050903

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide (CID 106009233) is 5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide is CC(CN1CCCCC1)NS(=O)(=O)c1c[nH]c(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is OZGWIDWKUNWALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11(10-17-5-3-2-4-6-17)16-20(18,19)13-7-12(8-14)15-9-13/h7,9,11,15-16H,2-6,8,10,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106009233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).