5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide

C10H17NOS — CID 123496211

IUPAC5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide
SMILESCC1CC(CN2CC3C2CS3=O)C1
InChIInChI=1S/C10H17NOS/c1-7-2-8(3-7)4-11-5-10-9(11)6-13(10)12/h7-10H,2-6H2,1H3
InChIKeyJXURRPXATWSIAE-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.85
Rot. Bonds2

About 5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide

5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide (PubChem CID 123496211) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide.

Molecular Properties

Compound Name5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide
PubChem CID123496211
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide
SMILESCC1CC(CN2CC3C2CS3=O)C1
InChIInChI=1S/C10H17NOS/c1-7-2-8(3-7)4-11-5-10-9(11)6-13(10)12/h7-10H,2-6H2,1H3
InChIKeyJXURRPXATWSIAE-UHFFFAOYSA-N
XLogP0.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide 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

4-(3-Propan-2-ylcyclobutyl)-1,4-thiazinane 1-oxide
CID 68068002
5-[(3-Propan-2-ylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
CID 68084872
4-(3-Methylcyclobutyl)-1,4-thiazinane 1-oxide
CID 123300412
5-[(1,3-Dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
CID 123320963
5-[(3-Methylcyclobutyl)methyl]-2lambda6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide
CID 123498797
4-[(3-Methylcyclobutyl)methyl]-1,4-thiazinane 1-oxide
CID 123501525
5-[(3-Methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
CID 123670568
2-(2-Methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide
CID 130420800
(4R)-5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
CID 144151083
(4R)-5-[(3-methylcyclobutyl)methyl]-2lambda4-thia-5-azabicyclo[2.2.0]hexane 2-oxide
CID 144193552
1-Imino-2-(1-propan-2-ylazetidin-3-yl)thietane 1-oxide
CID 158941803

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide?
The IUPAC name of 5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide (CID 123496211) is 5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide.
What is the SMILES notation for 5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide?
The canonical SMILES for 5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide is CC1CC(CN2CC3C2CS3=O)C1.
What is the InChIKey of 5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide?
The InChIKey is JXURRPXATWSIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7-2-8(3-7)4-11-5-10-9(11)6-13(10)12/h7-10H,2-6H2,1H3.
What are the key properties of 5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide?
5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide has a molecular weight of 199.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclobutyl)methyl]-2λ4-thia-5-azabicyclo[2.2.0]hexane 2-oxide is sourced from PubChem (CID 123496211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).