2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine

C5H10F3N3O2S — CID 127002468

IUPAC2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CCNS1(=O)=O)C(F)(F)F
InChIInChI=1S/C5H10F3N3O2S/c6-5(7,8)4(3-9)11-2-1-10-14(11,12)13/h4,10H,1-3,9H2
InChIKeyIKAVMHKHDGDDEC-UHFFFAOYSA-N
MW233.21 g/mol
LogP-0.97
Rot. Bonds2

About 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine

2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 127002468) has the molecular formula C5H10F3N3O2S and a molecular weight of 233.21 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID127002468
Molecular FormulaC5H10F3N3O2S
Molecular Weight233.21 g/mol
Exact Mass233.04
IUPAC Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CCNS1(=O)=O)C(F)(F)F
InChIInChI=1S/C5H10F3N3O2S/c6-5(7,8)4(3-9)11-2-1-10-14(11,12)13/h4,10H,1-3,9H2
InChIKeyIKAVMHKHDGDDEC-UHFFFAOYSA-N
XLogP-0.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine (CID 127002468) is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine is NCC(N1CCNS1(=O)=O)C(F)(F)F.
What is the InChIKey of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is IKAVMHKHDGDDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N3O2S/c6-5(7,8)4(3-9)11-2-1-10-14(11,12)13/h4,10H,1-3,9H2.
What are the key properties of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine?
2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 233.21 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 127002468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).