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

C8H18N2O2S — CID 58799617

IUPAC(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CN1CCCS1(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-7(2)8(9)6-10-4-3-5-13(10,11)12/h7-8H,3-6,9H2,1-2H3/t8-/m1/s1
InChIKeyPRMCIJHJSCKMBH-MRVPVSSYSA-N
MW206.31 g/mol
LogP0.01
Rot. Bonds3

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

(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine (PubChem CID 58799617) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine
PubChem CID58799617
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CN1CCCS1(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-7(2)8(9)6-10-4-3-5-13(10,11)12/h7-8H,3-6,9H2,1-2H3/t8-/m1/s1
InChIKeyPRMCIJHJSCKMBH-MRVPVSSYSA-N
XLogP0.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide
CID 91922807
N-(Pyrrolidin-3-yl)propane-1-sulfonamide
CID 43602878
3-(Aminomethyl)-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 129982016
4-Amino-2,3,3-trimethyl-1lambda6,2-thiazolidine-1,1-dione
CID 137698869
2-[(2S)-2-aminopropyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 170914813
2-[(2R)-2-aminopropyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 177801350
4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-amine
CID 90488126
N-(propan-2-yl)pyrrolidine-3-sulfonamide
CID 65422638
2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide
CID 97068720
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide
CID 97574702
N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide
CID 164641818
N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide
CID 164643209

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine?
The IUPAC name of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine (CID 58799617) is (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine?
The canonical SMILES for (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine is CC(C)[C@H](N)CN1CCCS1(=O)=O.
What is the InChIKey of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine?
The InChIKey is PRMCIJHJSCKMBH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2)8(9)6-10-4-3-5-13(10,11)12/h7-8H,3-6,9H2,1-2H3/t8-/m1/s1.
What are the key properties of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine?
(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine has a molecular weight of 206.31 g/mol, XLogP of 0.01, 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-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 58799617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).