5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine

C10H13BrN2O2S — CID 104531579

IUPAC5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine
SMILESCN(c1cncc(Br)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13BrN2O2S/c1-13(9-2-3-16(14,15)7-9)10-4-8(11)5-12-6-10/h4-6,9H,2-3,7H2,1H3
InChIKeyPQZJWYIOBDDYEP-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.47
Rot. Bonds2

About 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine

5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine (PubChem CID 104531579) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine
PubChem CID104531579
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine
SMILESCN(c1cncc(Br)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13BrN2O2S/c1-13(9-2-3-16(14,15)7-9)10-4-8(11)5-12-6-10/h4-6,9H,2-3,7H2,1H3
InChIKeyPQZJWYIOBDDYEP-UHFFFAOYSA-N
XLogP1.47
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-2-amine
CID 63874579
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109237153
5-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylpyridine-3-carboxamide
CID 52892977
1-[4-[5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231046
5-bromo-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carbonitrile
CID 84608768
2-N,4-N-bis(1,1-dioxothiolan-3-yl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 112921910
1-[5-bromo-2-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]ethanone
CID 82966875
methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate
CID 66457424
5-bromo-4-[(1,1-dioxothiolan-3-yl)-methylamino]-1H-pyrimidin-6-one
CID 136970864
4-N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898949
4-bromo-2-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735561
N-[4-(chloromethyl)phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648929

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine?
The IUPAC name of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine (CID 104531579) is 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine is CN(c1cncc(Br)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine?
The InChIKey is PQZJWYIOBDDYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c1-13(9-2-3-16(14,15)7-9)10-4-8(11)5-12-6-10/h4-6,9H,2-3,7H2,1H3.
What are the key properties of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine?
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine has a molecular weight of 305.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine is sourced from PubChem (CID 104531579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).