N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine

C11H16Br2N2S — CID 104573880

IUPACN-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NCc1ncc(Br)cc1Br
InChIInChI=1S/C11H16Br2N2S/c1-3-9(7-16-2)14-6-11-10(13)4-8(12)5-15-11/h4-5,9,14H,3,6-7H2,1-2H3
InChIKeyBTZPEMKQGAVXMR-UHFFFAOYSA-N
MW368.14 g/mol
LogP3.84
Rot. Bonds6

About N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine

N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine (PubChem CID 104573880) has the molecular formula C11H16Br2N2S and a molecular weight of 368.14 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine
PubChem CID104573880
Molecular FormulaC11H16Br2N2S
Molecular Weight368.14 g/mol
Exact Mass365.94
IUPAC NameN-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NCc1ncc(Br)cc1Br
InChIInChI=1S/C11H16Br2N2S/c1-3-9(7-16-2)14-6-11-10(13)4-8(12)5-15-11/h4-5,9,14H,3,6-7H2,1-2H3
InChIKeyBTZPEMKQGAVXMR-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3,5-dibromo-2-pyridinyl)methylamino]butan-1-ol
CID 104980532
N-[(3,5-dibromo-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 113393720
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 113428364
tert-butyl N-[2-[(3,5-dibromo-2-pyridinyl)methylamino]pentyl]carbamate
CID 107253827
5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115899532
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylsulfanylbutan-2-amine
CID 107342509
N-[(3,5-difluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899776
6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol
CID 104573881
3,5-dibromo-2-(fluoromethyl)pyridine
CID 149128897
1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124590
1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol
CID 104573831
1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 113428371

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine (CID 104573880) is N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine is CCC(CSC)NCc1ncc(Br)cc1Br.
What is the InChIKey of N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine?
The InChIKey is BTZPEMKQGAVXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2S/c1-3-9(7-16-2)14-6-11-10(13)4-8(12)5-15-11/h4-5,9,14H,3,6-7H2,1-2H3.
What are the key properties of N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine?
N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine has a molecular weight of 368.14 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-pyridinyl)methyl]-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 104573880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).