5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine

C9H13BrN2OS — CID 115642455

IUPAC5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine
SMILESCCS(=O)CCNc1ccc(Br)cn1
InChIInChI=1S/C9H13BrN2OS/c1-2-14(13)6-5-11-9-4-3-8(10)7-12-9/h3-4,7H,2,5-6H2,1H3,(H,11,12)
InChIKeyCBSCIMOFLIMCGT-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.02
Rot. Bonds5

About 5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine

5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine (PubChem CID 115642455) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine
PubChem CID115642455
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine
SMILESCCS(=O)CCNc1ccc(Br)cn1
InChIInChI=1S/C9H13BrN2OS/c1-2-14(13)6-5-11-9-4-3-8(10)7-12-9/h3-4,7H,2,5-6H2,1H3,(H,11,12)
InChIKeyCBSCIMOFLIMCGT-UHFFFAOYSA-N
XLogP2.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
3-[(5-bromo-2-pyridinyl)amino]propyl hydrogen sulfite
CID 174853714
5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226685
5-bromo-N-(2-ethoxypropyl)pyridin-2-amine
CID 115658186
7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
CID 24701669
6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
CID 24704054
5-bromo-N-pent-4-ynylpyridin-2-amine
CID 103704439
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 60904047
5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine
CID 103518506
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
5-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64597766
5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146816

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine (CID 115642455) is 5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine is CCS(=O)CCNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine?
The InChIKey is CBSCIMOFLIMCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-2-14(13)6-5-11-9-4-3-8(10)7-12-9/h3-4,7H,2,5-6H2,1H3,(H,11,12).
What are the key properties of 5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine?
5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine has a molecular weight of 277.19 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine is sourced from PubChem (CID 115642455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).