N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine

C10H24N4O2S — CID 112752098

IUPACN-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCN1CCN(CCNCCN(C)C)S1(=O)=O
InChIInChI=1S/C10H24N4O2S/c1-4-13-9-10-14(17(13,15)16)8-6-11-5-7-12(2)3/h11H,4-10H2,1-3H3
InChIKeyPWNIPCZACHLYSI-UHFFFAOYSA-N
MW264.39 g/mol
LogP-0.98
Rot. Bonds7

About N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 112752098) has the molecular formula C10H24N4O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID112752098
Molecular FormulaC10H24N4O2S
Molecular Weight264.39 g/mol
Exact Mass264.16
IUPAC NameN-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCN1CCN(CCNCCN(C)C)S1(=O)=O
InChIInChI=1S/C10H24N4O2S/c1-4-13-9-10-14(17(13,15)16)8-6-11-5-7-12(2)3/h11H,4-10H2,1-3H3
InChIKeyPWNIPCZACHLYSI-UHFFFAOYSA-N
XLogP-0.98
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 112752098) is N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine is CCN1CCN(CCNCCN(C)C)S1(=O)=O.
What is the InChIKey of N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PWNIPCZACHLYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2S/c1-4-13-9-10-14(17(13,15)16)8-6-11-5-7-12(2)3/h11H,4-10H2,1-3H3.
What are the key properties of N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of -0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 112752098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).