1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide

C10H15BrN4O2S — CID 71976832

IUPAC1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1c1ncc(Br)cn1
InChIInChI=1S/C10H15BrN4O2S/c1-12-18(16,17)7-9-3-2-4-15(9)10-13-5-8(11)6-14-10/h5-6,9,12H,2-4,7H2,1H3
InChIKeyKAOMUGLZEHOJIY-UHFFFAOYSA-N
MW335.23 g/mol
LogP0.76
Rot. Bonds4

About 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide

1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (PubChem CID 71976832) has the molecular formula C10H15BrN4O2S and a molecular weight of 335.23 g/mol. Its IUPAC name is 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
PubChem CID71976832
Molecular FormulaC10H15BrN4O2S
Molecular Weight335.23 g/mol
Exact Mass334.01
IUPAC Name1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1c1ncc(Br)cn1
InChIInChI=1S/C10H15BrN4O2S/c1-12-18(16,17)7-9-3-2-4-15(9)10-13-5-8(11)6-14-10/h5-6,9,12H,2-4,7H2,1H3
InChIKeyKAOMUGLZEHOJIY-UHFFFAOYSA-N
XLogP0.76
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 53624199
[1-(5-Bromopyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
CID 60301772
5-bromo-2-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-2,4-diamine
CID 86802893
5-bromo-2-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-4-N-methylpyrimidine-2,4-diamine
CID 99634454
5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 132301651
N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
CID 136539718
(3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide
CID 164643242
(2R,3S)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 122701995
(2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 122702096
(2S,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 122702152
(2S,3S)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 122702382
3-(5-Bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 122702734

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (CID 71976832) is 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)CC1CCCN1c1ncc(Br)cn1.
What is the InChIKey of 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is KAOMUGLZEHOJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2S/c1-12-18(16,17)7-9-3-2-4-15(9)10-13-5-8(11)6-14-10/h5-6,9,12H,2-4,7H2,1H3.
What are the key properties of 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 335.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71976832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).