2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine

C10H20N2O2S — CID 63258373

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine
SMILESNC1CCCCCC1N1CCCS1(=O)=O
InChIInChI=1S/C10H20N2O2S/c11-9-5-2-1-3-6-10(9)12-7-4-8-15(12,13)14/h9-10H,1-8,11H2
InChIKeyPLPZTKQXHUVNPZ-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.68
Rot. Bonds1

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine

2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine (PubChem CID 63258373) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine
PubChem CID63258373
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine
SMILESNC1CCCCCC1N1CCCS1(=O)=O
InChIInChI=1S/C10H20N2O2S/c11-9-5-2-1-3-6-10(9)12-7-4-8-15(12,13)14/h9-10H,1-8,11H2
InChIKeyPLPZTKQXHUVNPZ-UHFFFAOYSA-N
XLogP0.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine
CID 138598355
trans-(1S,2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol
CID 102735087
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine
CID 61349589
2-(1,1-dioxothiazinan-2-yl)cyclopentane-1-carboxylic acid
CID 83825294
2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
CID 16790088
4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
CID 146082093
2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine
CID 63160830
cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 66680564
2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine
CID 43372793
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cycloheptan-1-amine
CID 65321124
4-(1,1-dioxo-1,2-thiazolidin-2-yl)oxolane-3-carboxylic acid
CID 66240870
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 63042627

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine (CID 63258373) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine is NC1CCCCCC1N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine?
The InChIKey is PLPZTKQXHUVNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c11-9-5-2-1-3-6-10(9)12-7-4-8-15(12,13)14/h9-10H,1-8,11H2.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 0.68, 1 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)cycloheptan-1-amine is sourced from PubChem (CID 63258373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).