N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine

C12H27N3OS — CID 143100850

IUPACN,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine
SMILESCNC(CN1CCN(C(C)C)S1=O)C(C)(C)C
InChIInChI=1S/C12H27N3OS/c1-10(2)15-8-7-14(17(15)16)9-11(13-6)12(3,4)5/h10-11,13H,7-9H2,1-6H3
InChIKeyJYKRZCOUVOIPMY-UHFFFAOYSA-N
MW261.43 g/mol
LogP1.23
Rot. Bonds4

About N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine

N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine (PubChem CID 143100850) has the molecular formula C12H27N3OS and a molecular weight of 261.43 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine
PubChem CID143100850
Molecular FormulaC12H27N3OS
Molecular Weight261.43 g/mol
Exact Mass261.19
IUPAC NameN,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine
SMILESCNC(CN1CCN(C(C)C)S1=O)C(C)(C)C
InChIInChI=1S/C12H27N3OS/c1-10(2)15-8-7-14(17(15)16)9-11(13-6)12(3,4)5/h10-11,13H,7-9H2,1-6H3
InChIKeyJYKRZCOUVOIPMY-UHFFFAOYSA-N
XLogP1.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-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

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine (CID 143100850) is N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine is CNC(CN1CCN(C(C)C)S1=O)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine?
The InChIKey is JYKRZCOUVOIPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3OS/c1-10(2)15-8-7-14(17(15)16)9-11(13-6)12(3,4)5/h10-11,13H,7-9H2,1-6H3.
What are the key properties of N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine?
N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine has a molecular weight of 261.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine is sourced from PubChem (CID 143100850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).