N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide

C12H18BrN3O2S — CID 166256385

IUPACN-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCCC1c1cncc(Br)c1
InChIInChI=1S/C12H18BrN3O2S/c1-19(17,18)15-4-6-16-5-2-3-12(16)10-7-11(13)9-14-8-10/h7-9,12,15H,2-6H2,1H3
InChIKeyDJQBDWPCUCBLAJ-UHFFFAOYSA-N
MW348.27 g/mol
LogP1.53
Rot. Bonds5

About N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide

N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide (PubChem CID 166256385) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
PubChem CID166256385
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC NameN-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCCC1c1cncc(Br)c1
InChIInChI=1S/C12H18BrN3O2S/c1-19(17,18)15-4-6-16-5-2-3-12(16)10-7-11(13)9-14-8-10/h7-9,12,15H,2-6H2,1H3
InChIKeyDJQBDWPCUCBLAJ-UHFFFAOYSA-N
XLogP1.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide (CID 166256385) is N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCN1CCCC1c1cncc(Br)c1.
What is the InChIKey of N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is DJQBDWPCUCBLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-19(17,18)15-4-6-16-5-2-3-12(16)10-7-11(13)9-14-8-10/h7-9,12,15H,2-6H2,1H3.
What are the key properties of N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 348.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 166256385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).