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

C10H13BrN2O2S — CID 63922588

IUPAC3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
SMILESO=S1(=O)CCCC(Nc2ncccc2Br)C1
InChIInChI=1S/C10H13BrN2O2S/c11-9-4-1-5-12-10(9)13-8-3-2-6-16(14,15)7-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)
InChIKeyNHGUYGWUKLINFG-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.83
Rot. Bonds2

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

3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine (PubChem CID 63922588) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
PubChem CID63922588
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
SMILESO=S1(=O)CCCC(Nc2ncccc2Br)C1
InChIInChI=1S/C10H13BrN2O2S/c11-9-4-1-5-12-10(9)13-8-3-2-6-16(14,15)7-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)
InChIKeyNHGUYGWUKLINFG-UHFFFAOYSA-N
XLogP1.83
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 61373712
N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 63922973
ethyl 2-[(1,1-dioxothian-3-yl)amino]pyridine-3-carboxylate
CID 63921994
6-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63963890
3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine
CID 130631319
N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine
CID 130949037
N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide
CID 63918472
N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 63922804
2-bromo-1-N-(1,1-dioxothian-3-yl)benzene-1,4-diamine
CID 63923099
N-(2-bromo-5-chlorophenyl)-1,1-dioxothian-3-amine
CID 81264463
3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64742040
3-bromo-N-(1,1-dioxothian-3-yl)-4-methyl-5-nitropyridin-2-amine
CID 104507999

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine (CID 63922588) is 3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine is O=S1(=O)CCCC(Nc2ncccc2Br)C1.
What is the InChIKey of 3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine?
The InChIKey is NHGUYGWUKLINFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c11-9-4-1-5-12-10(9)13-8-3-2-6-16(14,15)7-8/h1,4-5,8H,2-3,6-7H2,(H,12,13).
What are the key properties of 3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine?
3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine has a molecular weight of 305.20 g/mol, XLogP of 1.83, 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-dioxothian-3-yl)pyridin-2-amine is sourced from PubChem (CID 63922588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).