(2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine

C12H27N3O2S — CID 59677665

IUPAC(2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine
SMILESCC(C)N[C@H](CN1CCN(C)S1(=O)=O)C(C)(C)C
InChIInChI=1S/C12H27N3O2S/c1-10(2)13-11(12(3,4)5)9-15-8-7-14(6)18(15,16)17/h10-11,13H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyWUXAFIYHRCKGAG-LLVKDONJSA-N
MW277.43 g/mol
LogP0.89
Rot. Bonds4

About (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine

(2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine (PubChem CID 59677665) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine
PubChem CID59677665
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name(2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine
SMILESCC(C)N[C@H](CN1CCN(C)S1(=O)=O)C(C)(C)C
InChIInChI=1S/C12H27N3O2S/c1-10(2)13-11(12(3,4)5)9-15-8-7-14(6)18(15,16)17/h10-11,13H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyWUXAFIYHRCKGAG-LLVKDONJSA-N
XLogP0.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine?
The IUPAC name of (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine (CID 59677665) is (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine?
The canonical SMILES for (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine is CC(C)N[C@H](CN1CCN(C)S1(=O)=O)C(C)(C)C.
What is the InChIKey of (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine?
The InChIKey is WUXAFIYHRCKGAG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-10(2)13-11(12(3,4)5)9-15-8-7-14(6)18(15,16)17/h10-11,13H,7-9H2,1-6H3/t11-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine?
(2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine has a molecular weight of 277.43 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 59677665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).