azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane

C8H18N2OS — CID 169016730

IUPACazetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC(C)(C)C)N1CCC1
InChIInChI=1S/C8H18N2OS/c1-8(2,3)7-12(9,11)10-5-4-6-10/h9H,4-7H2,1-3H3
InChIKeyCGDSIGDBYZTUIS-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.70
Rot. Bonds2

About azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane

azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane (PubChem CID 169016730) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Nameazetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane
PubChem CID169016730
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Nameazetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC(C)(C)C)N1CCC1
InChIInChI=1S/C8H18N2OS/c1-8(2,3)7-12(9,11)10-5-4-6-10/h9H,4-7H2,1-3H3
InChIKeyCGDSIGDBYZTUIS-UHFFFAOYSA-N
XLogP1.70
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-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

Related Compounds

2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine
CID 82077362
1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine
CID 126759837
1-(azetidin-1-ylsulfonyl)azetidine
CID 69400792
4-bromo-1-(2,2-dimethylpropylsulfonyl)piperidine
CID 80672434
ethyl-imino-oxo-(1-oxo-1,4-thiazepan-4-yl)-λ6-sulfane
CID 164648394
7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane
CID 164656017
3-bromo-1-(2,2-dimethylpropylsulfonyl)pyrrolidine
CID 80670009
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
(3R)-1-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)azepane
CID 124735492
2-[(3S)-1-(2,2-dimethylpropylsulfonyl)piperidin-3-yl]-1,2-thiazolidine 1,1-dioxide
CID 124890547
2,2-dimethylpropylsulfonylcyclobutane
CID 167544021
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane?
The IUPAC name of azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane (CID 169016730) is azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane.
What is the SMILES notation for azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane?
The canonical SMILES for azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane is [H]N=S(=O)(CC(C)(C)C)N1CCC1.
What is the InChIKey of azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane?
The InChIKey is CGDSIGDBYZTUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-8(2,3)7-12(9,11)10-5-4-6-10/h9H,4-7H2,1-3H3.
What are the key properties of azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane?
azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane has a molecular weight of 190.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane is sourced from PubChem (CID 169016730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).