[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine

C11H16N2O2S — CID 43619971

IUPAC[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
SMILESNCc1ccccc1CN1CCCS1(=O)=O
InChIInChI=1S/C11H16N2O2S/c12-8-10-4-1-2-5-11(10)9-13-6-3-7-16(13,14)15/h1-2,4-5H,3,6-9,12H2
InChIKeyYDPNYYLYZVUSTN-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.68
Rot. Bonds3

About [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine

[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine (PubChem CID 43619971) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
PubChem CID43619971
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
SMILESNCc1ccccc1CN1CCCS1(=O)=O
InChIInChI=1S/C11H16N2O2S/c12-8-10-4-1-2-5-11(10)9-13-6-3-7-16(13,14)15/h1-2,4-5H,3,6-9,12H2
InChIKeyYDPNYYLYZVUSTN-UHFFFAOYSA-N
XLogP0.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(aminomethyl)phenyl)-N-methylmethanesulfonamide
CID 9106618
Ethanesulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578267
Propane-1-sulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578268
Ethanesulfonic acid biphenyl-2-ylmethyl-((S)-1-methyl-pyrrolidin-3-yl)-amide
CID 44578270
Propane-2-sulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578314
(S)-N-(2-(trifluoromethyl)benzyl)-N-(pyrrolidin-3-yl)methanesulfonamide
CID 44578316
2-(benzylamino)-N-cyclohexylethanesulfonamide
CID 45479973
N-benzyl-2-(octylamino)ethanesulfonamide
CID 45479985
N-benzyl-2-(butylamino)ethanesulfonamide
CID 45479989
2-Benzyl-1lambda6,2-thiazolidine-1,1-dione
CID 13493128
3-[Benzyl(dimethyl)ammonio]propane-1-sulfonate
CID 4386830
2-[(2-Methylphenyl)methyl]-1,5,2-dithiazepane 1,1-dioxide
CID 53245371

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine (CID 43619971) is [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine is NCc1ccccc1CN1CCCS1(=O)=O.
What is the InChIKey of [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine?
The InChIKey is YDPNYYLYZVUSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-8-10-4-1-2-5-11(10)9-13-6-3-7-16(13,14)15/h1-2,4-5H,3,6-9,12H2.
What are the key properties of [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine?
[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine has a molecular weight of 240.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 43619971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).