1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine

C10H13BrClNO2S2 — CID 80530948

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(Br)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13BrClNO2S2/c1-13-9(6-2-3-17(14,15)5-6)8-4-7(12)10(11)16-8/h4,6,9,13H,2-3,5H2,1H3
InChIKeyPQCKHSPCXBMBQR-UHFFFAOYSA-N
MW358.71 g/mol
LogP2.86
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine

1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine (PubChem CID 80530948) has the molecular formula C10H13BrClNO2S2 and a molecular weight of 358.71 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
PubChem CID80530948
Molecular FormulaC10H13BrClNO2S2
Molecular Weight358.71 g/mol
Exact Mass356.93
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(Br)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13BrClNO2S2/c1-13-9(6-2-3-17(14,15)5-6)8-4-7(12)10(11)16-8/h4,6,9,13H,2-3,5H2,1H3
InChIKeyPQCKHSPCXBMBQR-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.71
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-4-chlorothiophen-2-yl)-chloromethyl]thiolane 1,1-dioxide
CID 80533646
1-(5-bromo-4-chlorothiophen-2-yl)-1-cyclooctyl-N-methylmethanamine
CID 80531200
1-(2,5-dimethylfuran-3-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64906824
N-[(3-bromo-4-chlorophenyl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 83230319
N-[(5-bromothiophen-2-yl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 64905985
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine
CID 80531325
N-[(2,5-dibromothiophen-3-yl)-(1,1-dioxothiolan-3-yl)methyl]propan-1-amine
CID 64903911
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115336731
1-(cyclopenten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64904121
(4-bromo-5-chlorothiophen-2-yl)-(1,1-dioxothiolan-3-yl)methanamine
CID 102827981
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 80530880
1-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113289751

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine (CID 80530948) is 1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine is CNC(c1cc(Cl)c(Br)s1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
The InChIKey is PQCKHSPCXBMBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S2/c1-13-9(6-2-3-17(14,15)5-6)8-4-7(12)10(11)16-8/h4,6,9,13H,2-3,5H2,1H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine has a molecular weight of 358.71 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 80530948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).