3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine

C7H16N2O2S — CID 43619978

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)CN1CCCS1(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-7(5-8)6-9-3-2-4-12(9,10)11/h7H,2-6,8H2,1H3
InChIKeyBCBZBAKUOWOFDV-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.38
Rot. Bonds3

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine (PubChem CID 43619978) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine
PubChem CID43619978
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)CN1CCCS1(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-7(5-8)6-9-3-2-4-12(9,10)11/h7H,2-6,8H2,1H3
InChIKeyBCBZBAKUOWOFDV-UHFFFAOYSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.38
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)-2-methylpropan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine (CID 43619978) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine is CC(CN)CN1CCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine?
The InChIKey is BCBZBAKUOWOFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(5-8)6-9-3-2-4-12(9,10)11/h7H,2-6,8H2,1H3.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine has a molecular weight of 192.28 g/mol, XLogP of -0.38, 3 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)-2-methylpropan-1-amine is sourced from PubChem (CID 43619978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).