(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine

C9H20N2O2S — CID 58799899

IUPAC(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)[C@H](N)CN1CCCS1(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-9(2,3)8(10)7-11-5-4-6-14(11,12)13/h8H,4-7,10H2,1-3H3/t8-/m1/s1
InChIKeyXHMFAQKXBFSBFV-MRVPVSSYSA-N
MW220.34 g/mol
LogP0.40
Rot. Bonds2

About (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine

(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine (PubChem CID 58799899) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine
PubChem CID58799899
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)[C@H](N)CN1CCCS1(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-9(2,3)8(10)7-11-5-4-6-14(11,12)13/h8H,4-7,10H2,1-3H3/t8-/m1/s1
InChIKeyXHMFAQKXBFSBFV-MRVPVSSYSA-N
XLogP0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.40
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-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine (CID 58799899) is (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine is CC(C)(C)[C@H](N)CN1CCCS1(=O)=O.
What is the InChIKey of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is XHMFAQKXBFSBFV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2,3)8(10)7-11-5-4-6-14(11,12)13/h8H,4-7,10H2,1-3H3/t8-/m1/s1.
What are the key properties of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine?
(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 220.34 g/mol, XLogP of 0.40, 2 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-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 58799899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).