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

C11H16BrN3O2S — CID 71976831

IUPAC1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1c1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O2S/c1-13-18(16,17)8-10-3-2-6-15(10)11-5-4-9(12)7-14-11/h4-5,7,10,13H,2-3,6,8H2,1H3
InChIKeyHXDMXTBNOOHECL-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.36
Rot. Bonds4

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

1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (PubChem CID 71976831) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is 1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
PubChem CID71976831
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1c1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O2S/c1-13-18(16,17)8-10-3-2-6-15(10)11-5-4-9(12)7-14-11/h4-5,7,10,13H,2-3,6,8H2,1H3
InChIKeyHXDMXTBNOOHECL-UHFFFAOYSA-N
XLogP1.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diisopropyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741689
1-Propylsulfonyl-4-(2-pyridinyl)piperazine
CID 888610
5-Bromo-N-methyl-N-(propan-2-yl)pyridin-2-amine
CID 61373027
2-amino-5-bromo-N-butyl-pyridine-3-sulfonamide
CID 22515931
4-(Ethylsulfonyl)-1-(2-pyridyl)piperazine
CID 4536240
N-(5-bromopyridin-2-yl)ethanesulfonamide
CID 726086
N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 790872
US11414402, Example 28
CID 137352872
5-Bromo-N-(propan-2-yl)pyridin-2-amine
CID 29551250
5-bromo-N-[3-(dimethylamino)propyl]pyridin-2-amine
CID 29558471
1-(5-Bromo-2-pyridyl)-3-[2-(1-methylpyrrolidin-2-yl)ethyl]thiourea
CID 3002124
7-Bromo-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 44589243

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (CID 71976831) is 1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)CC1CCCN1c1ccc(Br)cn1.
What is the InChIKey of 1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is HXDMXTBNOOHECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-13-18(16,17)8-10-3-2-6-15(10)11-5-4-9(12)7-14-11/h4-5,7,10,13H,2-3,6,8H2,1H3.
What are the key properties of 1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71976831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).