N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide

C12H20N2O2S — CID 110661317

IUPACN-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCCc1cccnc1
InChIInChI=1S/C12H20N2O2S/c1-2-10-17(15,16)14-9-4-3-6-12-7-5-8-13-11-12/h5,7-8,11,14H,2-4,6,9-10H2,1H3
InChIKeyJAMPJIPUHDFMNQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.73
Rot. Bonds8

About N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide

N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide (PubChem CID 110661317) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
PubChem CID110661317
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCCc1cccnc1
InChIInChI=1S/C12H20N2O2S/c1-2-10-17(15,16)14-9-4-3-6-12-7-5-8-13-11-12/h5,7-8,11,14H,2-4,6,9-10H2,1H3
InChIKeyJAMPJIPUHDFMNQ-UHFFFAOYSA-N
XLogP1.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(dimethylsulfamoylamino)butyl]pyridine
CID 110661318
1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide
CID 110661344
N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide
CID 110601627
8-pyridin-3-yloctane-1-sulfonic acid
CID 102468636
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine
CID 110607154
CID 170845022
CID 170845022
3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine
CID 47171225
5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
CID 110661337
4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661328
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide?
The IUPAC name of N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide (CID 110661317) is N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCCCc1cccnc1.
What is the InChIKey of N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide?
The InChIKey is JAMPJIPUHDFMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-10-17(15,16)14-9-4-3-6-12-7-5-8-13-11-12/h5,7-8,11,14H,2-4,6,9-10H2,1H3.
What are the key properties of N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide?
N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide is sourced from PubChem (CID 110661317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).