imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane

C8H22N2O2S2 — CID 165047245

IUPACimino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)C(C)C.[H]N=[S@](C)(=O)C(C)C
InChIInChI=1S/2C4H11NOS/c2*1-4(2)7(3,5)6/h2*4-5H,1-3H3/t2*7-/m10/s1
InChIKeyPCKDIZHEAQSOBM-UNLCMTKJSA-N
MW242.41 g/mol
LogP2.14
Rot. Bonds2

About imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane

imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane (PubChem CID 165047245) has the molecular formula C8H22N2O2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane
PubChem CID165047245
Molecular FormulaC8H22N2O2S2
Molecular Weight242.41 g/mol
Exact Mass242.11
IUPAC Nameimino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)C(C)C.[H]N=[S@](C)(=O)C(C)C
InChIInChI=1S/2C4H11NOS/c2*1-4(2)7(3,5)6/h2*4-5H,1-3H3/t2*7-/m10/s1
InChIKeyPCKDIZHEAQSOBM-UNLCMTKJSA-N
XLogP2.14
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane 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 imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane?
The IUPAC name of imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane (CID 165047245) is imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane.
What is the SMILES notation for imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane?
The canonical SMILES for imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane is [H]N=[S@@](C)(=O)C(C)C.[H]N=[S@](C)(=O)C(C)C.
What is the InChIKey of imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane?
The InChIKey is PCKDIZHEAQSOBM-UNLCMTKJSA-N. The full InChI is InChI=1S/2C4H11NOS/c2*1-4(2)7(3,5)6/h2*4-5H,1-3H3/t2*7-/m10/s1.
What are the key properties of imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane?
imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane has a molecular weight of 242.41 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane is sourced from PubChem (CID 165047245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).