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

C9H18N2O2S — CID 43619968

IUPAC[2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine
SMILESNCC1CCCC1N1CCCS1(=O)=O
InChIInChI=1S/C9H18N2O2S/c10-7-8-3-1-4-9(8)11-5-2-6-14(11,12)13/h8-9H,1-7,10H2
InChIKeyJCHRCRQMNGLGDP-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.15
Rot. Bonds2

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

[2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine (PubChem CID 43619968) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine
PubChem CID43619968
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine
SMILESNCC1CCCC1N1CCCS1(=O)=O
InChIInChI=1S/C9H18N2O2S/c10-7-8-3-1-4-9(8)11-5-2-6-14(11,12)13/h8-9H,1-7,10H2
InChIKeyJCHRCRQMNGLGDP-UHFFFAOYSA-N
XLogP0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine?
The IUPAC name of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine (CID 43619968) is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine?
The canonical SMILES for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine is NCC1CCCC1N1CCCS1(=O)=O.
What is the InChIKey of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine?
The InChIKey is JCHRCRQMNGLGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-7-8-3-1-4-9(8)11-5-2-6-14(11,12)13/h8-9H,1-7,10H2.
What are the key properties of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine?
[2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentyl]methanamine has a molecular weight of 218.32 g/mol, XLogP of 0.15, 2 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)cyclopentyl]methanamine is sourced from PubChem (CID 43619968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).