tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane

C8H18N2OS2 — CID 164644449

IUPACtert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane
SMILES[H]N=S(=O)(N1CCSCC1)C(C)(C)C
InChIInChI=1S/C8H18N2OS2/c1-8(2,3)13(9,11)10-4-6-12-7-5-10/h9H,4-7H2,1-3H3
InChIKeyGEJCXETZFKUYTG-UHFFFAOYSA-N
MW222.38 g/mol
LogP1.80
Rot. Bonds1

About tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane

tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane (PubChem CID 164644449) has the molecular formula C8H18N2OS2 and a molecular weight of 222.38 g/mol. Its IUPAC name is tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane.

Molecular Properties

Compound Nametert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane
PubChem CID164644449
Molecular FormulaC8H18N2OS2
Molecular Weight222.38 g/mol
Exact Mass222.09
IUPAC Nametert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane
SMILES[H]N=S(=O)(N1CCSCC1)C(C)(C)C
InChIInChI=1S/C8H18N2OS2/c1-8(2,3)13(9,11)10-4-6-12-7-5-10/h9H,4-7H2,1-3H3
InChIKeyGEJCXETZFKUYTG-UHFFFAOYSA-N
XLogP1.80
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylsulfonimidoyl)piperidin-4-ol
CID 164644450
thiomorpholine-4-sulfonic acid
CID 68633206
N,N-dimethylthiomorpholine-4-sulfonamide
CID 59786661
N-ethyl-N-methylthiomorpholine-4-sulfonamide
CID 58831796
iodo(trithiomorpholin-4-yl)-λ4-sulfane
CID 131966374
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
thiomorpholin-4-ylsulfonylcarbamic acid
CID 68549835
4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine
CID 60910836
4-(chloromethylsulfonyl)-1,4-thiazepane
CID 63666027
2-thiomorpholin-4-ylsulfonylaniline
CID 28786580
N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide
CID 111812180
azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane
CID 169016730

Frequently Asked Questions

What is the IUPAC name of tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane?
The IUPAC name of tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane (CID 164644449) is tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane.
What is the SMILES notation for tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane?
The canonical SMILES for tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane is [H]N=S(=O)(N1CCSCC1)C(C)(C)C.
What is the InChIKey of tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane?
The InChIKey is GEJCXETZFKUYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS2/c1-8(2,3)13(9,11)10-4-6-12-7-5-10/h9H,4-7H2,1-3H3.
What are the key properties of tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane?
tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane has a molecular weight of 222.38 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane is sourced from PubChem (CID 164644449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).