(2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine

C11H25N3O2S — CID 58799878

IUPAC(2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine
SMILESCC(C)N1CCN(C[C@@H](N)C(C)(C)C)S1(=O)=O
InChIInChI=1S/C11H25N3O2S/c1-9(2)14-7-6-13(17(14,15)16)8-10(12)11(3,4)5/h9-10H,6-8,12H2,1-5H3/t10-/m1/s1
InChIKeyOICLRMVDKPKERB-SNVBAGLBSA-N
MW263.41 g/mol
LogP0.63
Rot. Bonds3

About (2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine

(2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine (PubChem CID 58799878) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is (2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine
PubChem CID58799878
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name(2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine
SMILESCC(C)N1CCN(C[C@@H](N)C(C)(C)C)S1(=O)=O
InChIInChI=1S/C11H25N3O2S/c1-9(2)14-7-6-13(17(14,15)16)8-10(12)11(3,4)5/h9-10H,6-8,12H2,1-5H3/t10-/m1/s1
InChIKeyOICLRMVDKPKERB-SNVBAGLBSA-N
XLogP0.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of (2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine (CID 58799878) is (2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for (2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for (2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine is CC(C)N1CCN(C[C@@H](N)C(C)(C)C)S1(=O)=O.
What is the InChIKey of (2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is OICLRMVDKPKERB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-9(2)14-7-6-13(17(14,15)16)8-10(12)11(3,4)5/h9-10H,6-8,12H2,1-5H3/t10-/m1/s1.
What are the key properties of (2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine?
(2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 58799878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).