[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide

C11H17BrN4O2S — CID 170429443

IUPAC[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide
SMILESCN(C)C1CN(c2ncc(Br)cc2CS(N)(=O)=O)C1
InChIInChI=1S/C11H17BrN4O2S/c1-15(2)10-5-16(6-10)11-8(7-19(13,17)18)3-9(12)4-14-11/h3-4,10H,5-7H2,1-2H3,(H2,13,17,18)
InChIKeyNXZQXFAHXHRKQZ-UHFFFAOYSA-N
MW349.25 g/mol
LogP0.38
Rot. Bonds4

About [5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide

[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 170429443) has the molecular formula C11H17BrN4O2S and a molecular weight of 349.25 g/mol. Its IUPAC name is [5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound Name[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide
PubChem CID170429443
Molecular FormulaC11H17BrN4O2S
Molecular Weight349.25 g/mol
Exact Mass348.03
IUPAC Name[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide
SMILESCN(C)C1CN(c2ncc(Br)cc2CS(N)(=O)=O)C1
InChIInChI=1S/C11H17BrN4O2S/c1-15(2)10-5-16(6-10)11-8(7-19(13,17)18)3-9(12)4-14-11/h3-4,10H,5-7H2,1-2H3,(H2,13,17,18)
InChIKeyNXZQXFAHXHRKQZ-UHFFFAOYSA-N
XLogP0.38
TPSA79.53 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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen
CID 167574173
5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 63164355
5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine
CID 134591561
[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 104960830
1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81470154
5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 76848472
1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63169019
5-bromo-2-chloro-3-nitropyridine;1-(5-bromo-3-nitro-2-pyridinyl)-N,N-dimethylazetidin-3-amine;N,N-dimethylazetidin-3-amine;hydrochloride
CID 165013120
tert-butyl N-[1-[5-bromo-3-(methanesulfonamido)-2-pyridinyl]azetidin-3-yl]-N-methylcarbamate
CID 146211819
1-(12-bromo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)-N,N-dimethylazetidin-3-amine
CID 71548406
[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine
CID 102967838
1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 61298550

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of [5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide (CID 170429443) is [5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for [5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for [5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide is CN(C)C1CN(c2ncc(Br)cc2CS(N)(=O)=O)C1.
What is the InChIKey of [5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is NXZQXFAHXHRKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2S/c1-15(2)10-5-16(6-10)11-8(7-19(13,17)18)3-9(12)4-14-11/h3-4,10H,5-7H2,1-2H3,(H2,13,17,18).
What are the key properties of [5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide?
[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 349.25 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 170429443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).