[2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine

C14H22N2O2S — CID 133180277

IUPAC[2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
SMILESCCCCc1ccc(N2CCC(CN)S2(=O)=O)cc1
InChIInChI=1S/C14H22N2O2S/c1-2-3-4-12-5-7-13(8-6-12)16-10-9-14(11-15)19(16,17)18/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyBLADWLJRGIUHHS-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.90
Rot. Bonds5

About [2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine

[2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine (PubChem CID 133180277) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
PubChem CID133180277
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
SMILESCCCCc1ccc(N2CCC(CN)S2(=O)=O)cc1
InChIInChI=1S/C14H22N2O2S/c1-2-3-4-12-5-7-13(8-6-12)16-10-9-14(11-15)19(16,17)18/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyBLADWLJRGIUHHS-UHFFFAOYSA-N
XLogP1.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine
CID 133180313
[4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine
CID 59546082
2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393419
1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine
CID 79398279
3-(4-butylphenyl)pyrrolidin-1-amine
CID 121406850
2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine
CID 112518528
1-(4-butylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 43378466
1-(4-pentylphenyl)pyrrolidine
CID 168512151
1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one
CID 59456863
2-(4-butylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79924280
1-(4-butylphenyl)-6-methylpiperazine-2,5-dione
CID 64960777
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 112780362

Frequently Asked Questions

What is the IUPAC name of [2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
The IUPAC name of [2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine (CID 133180277) is [2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine.
What is the SMILES notation for [2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
The canonical SMILES for [2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine is CCCCc1ccc(N2CCC(CN)S2(=O)=O)cc1.
What is the InChIKey of [2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
The InChIKey is BLADWLJRGIUHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-3-4-12-5-7-13(8-6-12)16-10-9-14(11-15)19(16,17)18/h5-8,14H,2-4,9-11,15H2,1H3.
What are the key properties of [2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
[2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine has a molecular weight of 282.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butylphenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine is sourced from PubChem (CID 133180277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).