N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine

C11H19N3O2S — CID 110607154

IUPACN-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine
SMILESCC(C)NS(=O)(=O)NCCCc1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-10(2)14-17(15,16)13-8-4-6-11-5-3-7-12-9-11/h3,5,7,9-10,13-14H,4,6,8H2,1-2H3
InChIKeyHQQFNNNWGJFXEG-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.85
Rot. Bonds7

About N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine

N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 110607154) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine
PubChem CID110607154
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine
SMILESCC(C)NS(=O)(=O)NCCCc1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-10(2)14-17(15,16)13-8-4-6-11-5-3-7-12-9-11/h3,5,7,9-10,13-14H,4,6,8H2,1-2H3
InChIKeyHQQFNNNWGJFXEG-UHFFFAOYSA-N
XLogP0.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
3-[4-(dimethylsulfamoylamino)butyl]pyridine
CID 110661318
N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
CID 110661317
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 36866769
3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 114810323
1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide
CID 110661344
3-(5-methylhexyl)pyridine
CID 54316004
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 54973657
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine (CID 110607154) is N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine is CC(C)NS(=O)(=O)NCCCc1cccnc1.
What is the InChIKey of N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is HQQFNNNWGJFXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-10(2)14-17(15,16)13-8-4-6-11-5-3-7-12-9-11/h3,5,7,9-10,13-14H,4,6,8H2,1-2H3.
What are the key properties of N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine?
N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 257.36 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 110607154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).