5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane

C11H19NS — CID 123320963

IUPAC5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
SMILESCC1CC(C)(CN2CC3SCC32)C1
InChIInChI=1S/C11H19NS/c1-8-3-11(2,4-8)7-12-5-10-9(12)6-13-10/h8-10H,3-7H2,1-2H3
InChIKeyJTWWOYQNHNQPPO-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.22
Rot. Bonds2

About 5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane

5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane (PubChem CID 123320963) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
PubChem CID123320963
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
SMILESCC1CC(C)(CN2CC3SCC32)C1
InChIInChI=1S/C11H19NS/c1-8-3-11(2,4-8)7-12-5-10-9(12)6-13-10/h8-10H,3-7H2,1-2H3
InChIKeyJTWWOYQNHNQPPO-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-Propan-2-ylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
CID 68084872
5-[(3-Methylcyclobutyl)methyl]-2lambda4-thia-5-azabicyclo[2.2.0]hexane 2-oxide
CID 123496211
5-[(3-Methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
CID 123670568
(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
4-[2-Methyl-1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]thiomorpholine
CID 156284809
4-[(1-Methylcyclobutyl)methyl]thiomorpholine
CID 128119583
2-Methyl-4-[(1-methylcyclobutyl)methyl]thiomorpholine
CID 130666989
2-Propan-2-yl-1-(thian-4-yl)azetidine
CID 130685806

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane?
The IUPAC name of 5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane (CID 123320963) is 5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane.
What is the SMILES notation for 5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane?
The canonical SMILES for 5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane is CC1CC(C)(CN2CC3SCC32)C1.
What is the InChIKey of 5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane?
The InChIKey is JTWWOYQNHNQPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-8-3-11(2,4-8)7-12-5-10-9(12)6-13-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane?
5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane has a molecular weight of 197.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane is sourced from PubChem (CID 123320963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).