[3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine

C10H15N3O2S — CID 82513418

IUPAC[3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine
SMILESCN1CCN(c2cccc(CN)c2)S1(=O)=O
InChIInChI=1S/C10H15N3O2S/c1-12-5-6-13(16(12,14)15)10-4-2-3-9(7-10)8-11/h2-4,7H,5-6,8,11H2,1H3
InChIKeyRJQMLIDWNZDCKQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.14
Rot. Bonds2

About [3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine

[3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine (PubChem CID 82513418) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is [3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine
PubChem CID82513418
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name[3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine
SMILESCN1CCN(c2cccc(CN)c2)S1(=O)=O
InChIInChI=1S/C10H15N3O2S/c1-12-5-6-13(16(12,14)15)10-4-2-3-9(7-10)8-11/h2-4,7H,5-6,8,11H2,1H3
InChIKeyRJQMLIDWNZDCKQ-UHFFFAOYSA-N
XLogP0.14
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 117026551
[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325
1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one
CID 82513929
4-[3-(aminomethyl)phenyl]-3-methylpiperazin-2-one
CID 102813996
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one
CID 116981908
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
[3-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 102813467
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
2-[3-(aminomethyl)phenyl]-5-methyl-4H-pyrazol-3-one
CID 82506511
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine?
The IUPAC name of [3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine (CID 82513418) is [3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine is CN1CCN(c2cccc(CN)c2)S1(=O)=O.
What is the InChIKey of [3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine?
The InChIKey is RJQMLIDWNZDCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-12-5-6-13(16(12,14)15)10-4-2-3-9(7-10)8-11/h2-4,7H,5-6,8,11H2,1H3.
What are the key properties of [3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine?
[3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine has a molecular weight of 241.32 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine is sourced from PubChem (CID 82513418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).