(5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine

C10H13BrClNO2S2 — CID 104519017

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine
SMILESNC(c1cc(Cl)c(Br)s1)C1CCCCS1(=O)=O
InChIInChI=1S/C10H13BrClNO2S2/c11-10-6(12)5-7(16-10)9(13)8-3-1-2-4-17(8,14)15/h5,8-9H,1-4,13H2
InChIKeyFRLWLXGFGPYPMV-UHFFFAOYSA-N
MW358.71 g/mol
LogP3.13
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine (PubChem CID 104519017) has the molecular formula C10H13BrClNO2S2 and a molecular weight of 358.71 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine
PubChem CID104519017
Molecular FormulaC10H13BrClNO2S2
Molecular Weight358.71 g/mol
Exact Mass356.93
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine
SMILESNC(c1cc(Cl)c(Br)s1)C1CCCCS1(=O)=O
InChIInChI=1S/C10H13BrClNO2S2/c11-10-6(12)5-7(16-10)9(13)8-3-1-2-4-17(8,14)15/h5,8-9H,1-4,13H2
InChIKeyFRLWLXGFGPYPMV-UHFFFAOYSA-N
XLogP3.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine
CID 104518425
2-[bromo-(4,5-dibromothiophen-2-yl)methyl]thiane 1,1-dioxide
CID 104521679
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine
CID 80530689
(1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 104991307
3-[(5-bromo-4-chlorothiophen-2-yl)-chloromethyl]thiolane 1,1-dioxide
CID 80533646
(5-bromo-4-chlorothiophen-2-yl)-cyclooctylmethanol
CID 80532299
(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
CID 80530693
(5-bromo-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methanamine
CID 104518399
(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 80530919
2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine
CID 115841541
N-[(5-bromo-4-methylthiophen-2-yl)-(1,1-dioxothian-2-yl)methyl]propan-1-amine
CID 104518986
1-(5-bromo-4-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 80530948

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine (CID 104519017) is (5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine is NC(c1cc(Cl)c(Br)s1)C1CCCCS1(=O)=O.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine?
The InChIKey is FRLWLXGFGPYPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S2/c11-10-6(12)5-7(16-10)9(13)8-3-1-2-4-17(8,14)15/h5,8-9H,1-4,13H2.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine has a molecular weight of 358.71 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine is sourced from PubChem (CID 104519017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).