2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine

C7H17N3O2S — CID 127013325

IUPAC2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine
SMILESCC1CN(C(CN)CN)S(=O)(=O)C1
InChIInChI=1S/C7H17N3O2S/c1-6-4-10(7(2-8)3-9)13(11,12)5-6/h6-7H,2-5,8-9H2,1H3
InChIKeyAZMDBUSVQGWSDU-UHFFFAOYSA-N
MW207.30 g/mol
LogP-1.45
Rot. Bonds3

About 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine

2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine (PubChem CID 127013325) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine
PubChem CID127013325
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC Name2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine
SMILESCC1CN(C(CN)CN)S(=O)(=O)C1
InChIInChI=1S/C7H17N3O2S/c1-6-4-10(7(2-8)3-9)13(11,12)5-6/h6-7H,2-5,8-9H2,1H3
InChIKeyAZMDBUSVQGWSDU-UHFFFAOYSA-N
XLogP-1.45
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine?
The IUPAC name of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine (CID 127013325) is 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine is CC1CN(C(CN)CN)S(=O)(=O)C1.
What is the InChIKey of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine?
The InChIKey is AZMDBUSVQGWSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c1-6-4-10(7(2-8)3-9)13(11,12)5-6/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine?
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine has a molecular weight of 207.30 g/mol, XLogP of -1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 127013325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).