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

C10H17NS — CID 123670568

IUPAC5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
SMILESCC1CC(CN2CC3SCC32)C1
InChIInChI=1S/C10H17NS/c1-7-2-8(3-7)4-11-5-10-9(11)6-12-10/h7-10H,2-6H2,1H3
InChIKeyCYMWMWOYKKKTCR-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.83
Rot. Bonds2

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

5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane (PubChem CID 123670568) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
PubChem CID123670568
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
SMILESCC1CC(CN2CC3SCC32)C1
InChIInChI=1S/C10H17NS/c1-7-2-8(3-7)4-11-5-10-9(11)6-12-10/h7-10H,2-6H2,1H3
InChIKeyCYMWMWOYKKKTCR-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 51.83
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
4-(3-Methylcyclobutyl)thiomorpholine
CID 123281433
5-[(1,3-Dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
CID 123320963
5-[(3-Methylcyclobutyl)methyl]-2lambda4-thia-5-azabicyclo[2.2.0]hexane 2-oxide
CID 123496211
5-[(3-Methylcyclobutyl)methyl]-2lambda6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide
CID 123498797
4-(3-Propan-2-ylcyclobutyl)thiomorpholine
CID 140626563
(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
8-Propan-2-yl-5-thia-8-azaspiro[3.5]nonane
CID 170523768
4-Propan-2-yl-1-(thietan-3-yl)piperidine
CID 172315192
Ethane;4-methyl-1-(thietan-3-yl)piperidine
CID 172315287

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane?
The IUPAC name of 5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane (CID 123670568) is 5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane.
What is the SMILES notation for 5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane?
The canonical SMILES for 5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane is CC1CC(CN2CC3SCC32)C1.
What is the InChIKey of 5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane?
The InChIKey is CYMWMWOYKKKTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-7-2-8(3-7)4-11-5-10-9(11)6-12-10/h7-10H,2-6H2,1H3.
What are the key properties of 5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane?
5-[(3-methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane has a molecular weight of 183.32 g/mol, XLogP of 1.83, 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]-2-thia-5-azabicyclo[2.2.0]hexane is sourced from PubChem (CID 123670568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).