2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol

C9H13BrN2OS — CID 64819740

IUPAC2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(N)(CO)CSc1ncccc1Br
InChIInChI=1S/C9H13BrN2OS/c1-9(11,5-13)6-14-8-7(10)3-2-4-12-8/h2-4,13H,5-6,11H2,1H3
InChIKeyHMHXWQKCOHACBR-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.65
Rot. Bonds4

About 2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol

2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 64819740) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
PubChem CID64819740
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(N)(CO)CSc1ncccc1Br
InChIInChI=1S/C9H13BrN2OS/c1-9(11,5-13)6-14-8-7(10)3-2-4-12-8/h2-4,13H,5-6,11H2,1H3
InChIKeyHMHXWQKCOHACBR-UHFFFAOYSA-N
XLogP1.65
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol 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

3-bromo-2-tert-butylsulfanylpyridine
CID 61373013
3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine
CID 130835217
2-amino-4-[(3-bromo-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821539
3-bromo-2-[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylpyridine
CID 65016129
2-[(3-bromo-2-pyridinyl)sulfanylmethyl]prop-2-ene-1-thiol
CID 103074209
3-[(3-bromo-2-pyridinyl)sulfanyl]propanoic acid
CID 61373345
[2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol
CID 71425302
2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol
CID 64818640
3-bromo-2-prop-2-enylsulfanylpyridine
CID 97182206
1-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
CID 64631646
ethyl 5-[(3-bromo-2-pyridinyl)sulfanyl]-4-oxopentanoate
CID 103485745
[3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol
CID 111975983

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol (CID 64819740) is 2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol is CC(N)(CO)CSc1ncccc1Br.
What is the InChIKey of 2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is HMHXWQKCOHACBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-9(11,5-13)6-14-8-7(10)3-2-4-12-8/h2-4,13H,5-6,11H2,1H3.
What are the key properties of 2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 277.19 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 64819740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).