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

C11H17BrN4O2S — CID 136539718

IUPACN-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCC(c1ncc(Br)cn1)N1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C11H17BrN4O2S/c1-8(11-13-5-9(12)6-14-11)16-4-3-10(7-16)15-19(2,17)18/h5-6,8,10,15H,3-4,7H2,1-2H3
InChIKeyRQHUNRSXBSMQIP-UHFFFAOYSA-N
MW349.25 g/mol
LogP0.92
Rot. Bonds4

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

N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 136539718) has the molecular formula C11H17BrN4O2S and a molecular weight of 349.25 g/mol. Its IUPAC name is N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID136539718
Molecular FormulaC11H17BrN4O2S
Molecular Weight349.25 g/mol
Exact Mass348.03
IUPAC NameN-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCC(c1ncc(Br)cn1)N1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C11H17BrN4O2S/c1-8(11-13-5-9(12)6-14-11)16-4-3-10(7-16)15-19(2,17)18/h5-6,8,10,15H,3-4,7H2,1-2H3
InChIKeyRQHUNRSXBSMQIP-UHFFFAOYSA-N
XLogP0.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 110259041
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-propanesulfonamide
CID 91923150
N~1~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-YL]-1-butanesulfonamide
CID 91923153
5-bromo-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 53624199
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71976832
5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 132301651
(3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide
CID 164643242
(1S,2R)-1-amino-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
CID 137545976
5-Bromo-2-(pyrrolidin-2-yl)pyrimidine
CID 63317319
N-[2-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]ethyl]methanesulfonamide
CID 128973375
N-[2-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]ethyl]methanesulfonamide
CID 128973378
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylmethanesulfonamide
CID 137872095

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide (CID 136539718) is N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide is CC(c1ncc(Br)cn1)N1CCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is RQHUNRSXBSMQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2S/c1-8(11-13-5-9(12)6-14-11)16-4-3-10(7-16)15-19(2,17)18/h5-6,8,10,15H,3-4,7H2,1-2H3.
What are the key properties of N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide?
N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 349.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 136539718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).