4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine

C9H18N2O2S — CID 43653698

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine
SMILESNC1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C9H18N2O2S/c10-8-2-4-9(5-3-8)11-6-1-7-14(11,12)13/h8-9H,1-7,10H2
InChIKeyVFTHSCUBKVMHLU-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.29
Rot. Bonds1

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine

4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine (PubChem CID 43653698) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine
PubChem CID43653698
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine
SMILESNC1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C9H18N2O2S/c10-8-2-4-9(5-3-8)11-6-1-7-14(11,12)13/h8-9H,1-7,10H2
InChIKeyVFTHSCUBKVMHLU-UHFFFAOYSA-N
XLogP0.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine (CID 43653698) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine is NC1CCC(N2CCCS2(=O)=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine?
The InChIKey is VFTHSCUBKVMHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-8-2-4-9(5-3-8)11-6-1-7-14(11,12)13/h8-9H,1-7,10H2.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine has a molecular weight of 218.32 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 43653698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).