N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen

C11H19BrN4O2S — CID 167574173

IUPACN-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen
SMILESCN(C)C1CN(c2ncc(Br)cc2NS(C)(=O)=O)C1.[H][H]
InChIInChI=1S/C11H17BrN4O2S.H2/c1-15(2)9-6-16(7-9)11-10(14-19(3,17)18)4-8(12)5-13-11;/h4-5,9,14H,6-7H2,1-3H3;1H
InChIKeyGHPUKXJPOTUROS-UHFFFAOYSA-N
MW351.27 g/mol
LogP1.21
Rot. Bonds4

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

N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen (PubChem CID 167574173) has the molecular formula C11H19BrN4O2S and a molecular weight of 351.27 g/mol. Its IUPAC name is N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen
PubChem CID167574173
Molecular FormulaC11H19BrN4O2S
Molecular Weight351.27 g/mol
Exact Mass350.04
IUPAC NameN-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen
SMILESCN(C)C1CN(c2ncc(Br)cc2NS(C)(=O)=O)C1.[H][H]
InChIInChI=1S/C11H17BrN4O2S.H2/c1-15(2)9-6-16(7-9)11-10(14-19(3,17)18)4-8(12)5-13-11;/h4-5,9,14H,6-7H2,1-3H3;1H
InChIKeyGHPUKXJPOTUROS-UHFFFAOYSA-N
XLogP1.21
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[5-bromo-3-(methanesulfonamido)-2-pyridinyl]azetidin-3-yl]-N-methylcarbamate
CID 146211819
[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide
CID 170429443
N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide
CID 66820509
5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 63164355
azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide
CID 175114352
1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 61298550
5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 76848472
N-[5-bromo-2-(oxiran-2-ylmethoxy)-3-pyridinyl]methanesulfonamide
CID 156693422
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
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
N-[5-bromo-2-[3-(3-fluoropyrrolidin-1-yl)propoxy]-3-pyridinyl]methanesulfonamide
CID 165374036
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163348279

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen?
The IUPAC name of N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen (CID 167574173) is N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen.
What is the SMILES notation for N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen?
The canonical SMILES for N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen is CN(C)C1CN(c2ncc(Br)cc2NS(C)(=O)=O)C1.[H][H].
What is the InChIKey of N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen?
The InChIKey is GHPUKXJPOTUROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2S.H2/c1-15(2)9-6-16(7-9)11-10(14-19(3,17)18)4-8(12)5-13-11;/h4-5,9,14H,6-7H2,1-3H3;1H.
What are the key properties of N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen?
N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen has a molecular weight of 351.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]methanesulfonamide;molecular hydrogen is sourced from PubChem (CID 167574173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).