N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide

C14H23N3O2S — CID 62008432

IUPACN-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide
SMILESCCCN(C1(CN)CCCC1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H23N3O2S/c1-2-10-17(14(12-15)7-3-4-8-14)20(18,19)13-6-5-9-16-11-13/h5-6,9,11H,2-4,7-8,10,12,15H2,1H3
InChIKeyIPYOBOIZTUUBPC-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.75
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide (PubChem CID 62008432) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide
PubChem CID62008432
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide
SMILESCCCN(C1(CN)CCCC1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H23N3O2S/c1-2-10-17(14(12-15)7-3-4-8-14)20(18,19)13-6-5-9-16-11-13/h5-6,9,11H,2-4,7-8,10,12,15H2,1H3
InChIKeyIPYOBOIZTUUBPC-UHFFFAOYSA-N
XLogP1.75
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide (CID 62008432) is N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide is CCCN(C1(CN)CCCC1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide?
The InChIKey is IPYOBOIZTUUBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-10-17(14(12-15)7-3-4-8-14)20(18,19)13-6-5-9-16-11-13/h5-6,9,11H,2-4,7-8,10,12,15H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 62008432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).