5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine

C11H15BrN2S — CID 107268827

IUPAC5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine
SMILESCSC1(CNc2cncc(Br)c2)CCC1
InChIInChI=1S/C11H15BrN2S/c1-15-11(3-2-4-11)8-14-10-5-9(12)6-13-7-10/h5-7,14H,2-4,8H2,1H3
InChIKeyCMJUXKRKIQOWSX-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.54
Rot. Bonds4

About 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine

5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine (PubChem CID 107268827) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine
PubChem CID107268827
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC Name5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine
SMILESCSC1(CNc2cncc(Br)c2)CCC1
InChIInChI=1S/C11H15BrN2S/c1-15-11(3-2-4-11)8-14-10-5-9(12)6-13-7-10/h5-7,14H,2-4,8H2,1H3
InChIKeyCMJUXKRKIQOWSX-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine
CID 130161188
1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 113423565
3,5-dimethoxy-N-[(1-methylsulfanylcyclobutyl)methyl]aniline
CID 114269724
6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
CID 107268817
5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117145
5-bromo-4-N-[(1-methylsulfanylcyclohexyl)methyl]pyridine-3,4-diamine
CID 114115717
2,6-dichloro-4-[(1-methylsulfanylcyclobutyl)methylamino]phenol
CID 114269839
N-[(1-methylsulfanylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 107268828
N-[(1-methylsulfanylcyclobutyl)methyl]thiadiazol-5-amine
CID 130506255
5-bromo-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyridin-3-amine
CID 133405812
2-amino-5-[(1-methylsulfanylcyclobutyl)methylamino]benzoic acid
CID 114117492
4-bromo-2-N-[(1-methylsulfanylcyclopentyl)methyl]benzene-1,2-diamine
CID 114115686

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine (CID 107268827) is 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine is CSC1(CNc2cncc(Br)c2)CCC1.
What is the InChIKey of 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine?
The InChIKey is CMJUXKRKIQOWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c1-15-11(3-2-4-11)8-14-10-5-9(12)6-13-7-10/h5-7,14H,2-4,8H2,1H3.
What are the key properties of 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine?
5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine has a molecular weight of 287.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine is sourced from PubChem (CID 107268827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).