(2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine

C9H21N3O2S — CID 70317740

IUPAC(2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine
SMILESCN1CCN(C[C@@H](N)C(C)(C)C)S1(=O)=O
InChIInChI=1S/C9H21N3O2S/c1-9(2,3)8(10)7-12-6-5-11(4)15(12,13)14/h8H,5-7,10H2,1-4H3/t8-/m1/s1
InChIKeyDJYGRJHHTYICNO-MRVPVSSYSA-N
MW235.35 g/mol
LogP-0.15
Rot. Bonds2

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

(2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine (PubChem CID 70317740) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine
PubChem CID70317740
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name(2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine
SMILESCN1CCN(C[C@@H](N)C(C)(C)C)S1(=O)=O
InChIInChI=1S/C9H21N3O2S/c1-9(2,3)8(10)7-12-6-5-11(4)15(12,13)14/h8H,5-7,10H2,1-4H3/t8-/m1/s1
InChIKeyDJYGRJHHTYICNO-MRVPVSSYSA-N
XLogP-0.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.15
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)butan-2-amine?
The IUPAC name of (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine (CID 70317740) is (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine.
What is the SMILES notation for (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine?
The canonical SMILES for (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine is CN1CCN(C[C@@H](N)C(C)(C)C)S1(=O)=O.
What is the InChIKey of (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine?
The InChIKey is DJYGRJHHTYICNO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-9(2,3)8(10)7-12-6-5-11(4)15(12,13)14/h8H,5-7,10H2,1-4H3/t8-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine?
(2S)-3,3-dimethyl-1-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)butan-2-amine has a molecular weight of 235.35 g/mol, XLogP of -0.15, 2 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)butan-2-amine is sourced from PubChem (CID 70317740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).