N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide

C11H16BrN3O2S — CID 63889394

IUPACN-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide
SMILESNCC1(NS(=O)(=O)c2cncc(Br)c2)CCCC1
InChIInChI=1S/C11H16BrN3O2S/c12-9-5-10(7-14-6-9)18(16,17)15-11(8-13)3-1-2-4-11/h5-7,15H,1-4,8,13H2
InChIKeyUYCBZRGHJZJABM-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.39
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide (PubChem CID 63889394) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide
PubChem CID63889394
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide
SMILESNCC1(NS(=O)(=O)c2cncc(Br)c2)CCCC1
InChIInChI=1S/C11H16BrN3O2S/c12-9-5-10(7-14-6-9)18(16,17)15-11(8-13)3-1-2-4-11/h5-7,15H,1-4,8,13H2
InChIKeyUYCBZRGHJZJABM-UHFFFAOYSA-N
XLogP1.39
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide (CID 63889394) is N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide is NCC1(NS(=O)(=O)c2cncc(Br)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide?
The InChIKey is UYCBZRGHJZJABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c12-9-5-10(7-14-6-9)18(16,17)15-11(8-13)3-1-2-4-11/h5-7,15H,1-4,8,13H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide has a molecular weight of 334.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide is sourced from PubChem (CID 63889394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).