3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine

C9H11BrN2O2S — CID 61373712

IUPAC3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
SMILESO=S1(=O)CCC(Nc2ncccc2Br)C1
InChIInChI=1S/C9H11BrN2O2S/c10-8-2-1-4-11-9(8)12-7-3-5-15(13,14)6-7/h1-2,4,7H,3,5-6H2,(H,11,12)
InChIKeyOGNNBKQXGCSNNE-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.44
Rot. Bonds2

About 3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine

3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine (PubChem CID 61373712) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
PubChem CID61373712
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
SMILESO=S1(=O)CCC(Nc2ncccc2Br)C1
InChIInChI=1S/C9H11BrN2O2S/c10-8-2-1-4-11-9(8)12-7-3-5-15(13,14)6-7/h1-2,4,7H,3,5-6H2,(H,11,12)
InChIKeyOGNNBKQXGCSNNE-UHFFFAOYSA-N
XLogP1.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63922588
5-bromo-N-(1,1-dioxothian-4-yl)isoquinolin-1-amine
CID 106537654
N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 63922973
5-bromo-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 80784885
3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile
CID 62671449
3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine
CID 130631319
N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine
CID 130949037
5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 103579980
N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
2-bromo-6-[(1,1-dioxothiolan-3-yl)amino]benzonitrile
CID 114880486
methyl 2-[(1,1-dioxothian-4-yl)amino]pyridine-3-carboxylate
CID 62000677
ethyl 2-[(1,1-dioxothian-3-yl)amino]pyridine-3-carboxylate
CID 63921994

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine (CID 61373712) is 3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine is O=S1(=O)CCC(Nc2ncccc2Br)C1.
What is the InChIKey of 3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine?
The InChIKey is OGNNBKQXGCSNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c10-8-2-1-4-11-9(8)12-7-3-5-15(13,14)6-7/h1-2,4,7H,3,5-6H2,(H,11,12).
What are the key properties of 3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine?
3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine has a molecular weight of 291.17 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 61373712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).