N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine

C10H23N3O3S — CID 112752101

IUPACN-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine
SMILESCCN1CCN(CCNCCCOC)S1(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-3-12-8-9-13(17(12,14)15)7-6-11-5-4-10-16-2/h11H,3-10H2,1-2H3
InChIKeyQHBFMFZWRXQLEV-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.51
Rot. Bonds8

About N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine

N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine (PubChem CID 112752101) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine
PubChem CID112752101
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine
SMILESCCN1CCN(CCNCCCOC)S1(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-3-12-8-9-13(17(12,14)15)7-6-11-5-4-10-16-2/h11H,3-10H2,1-2H3
InChIKeyQHBFMFZWRXQLEV-UHFFFAOYSA-N
XLogP-0.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.51
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]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine (CID 112752101) is N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine is CCN1CCN(CCNCCCOC)S1(=O)=O.
What is the InChIKey of N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is QHBFMFZWRXQLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-3-12-8-9-13(17(12,14)15)7-6-11-5-4-10-16-2/h11H,3-10H2,1-2H3.
What are the key properties of N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine?
N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 265.38 g/mol, XLogP of -0.51, 8 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]-3-methoxypropan-1-amine is sourced from PubChem (CID 112752101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).