3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine

C9H18N2O2S — CID 18453441

IUPAC3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine
SMILESNC1CCC(CN2CCCS2(=O)=O)C1
InChIInChI=1S/C9H18N2O2S/c10-9-3-2-8(6-9)7-11-4-1-5-14(11,12)13/h8-9H,1-7,10H2
InChIKeyNDXJGTWUYURPMH-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.15
Rot. Bonds2

About 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine

3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine (PubChem CID 18453441) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine
PubChem CID18453441
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine
SMILESNC1CCC(CN2CCCS2(=O)=O)C1
InChIInChI=1S/C9H18N2O2S/c10-9-3-2-8(6-9)7-11-4-1-5-14(11,12)13/h8-9H,1-7,10H2
InChIKeyNDXJGTWUYURPMH-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 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine (CID 18453441) is 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine is NC1CCC(CN2CCCS2(=O)=O)C1.
What is the InChIKey of 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is NDXJGTWUYURPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-9-3-2-8(6-9)7-11-4-1-5-14(11,12)13/h8-9H,1-7,10H2.
What are the key properties of 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine?
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine 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 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 18453441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).