5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide

C10H17NO2S — CID 123498797

IUPAC5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide
SMILESCC1CC(CN2CC3C2CS3(=O)=O)C1
InChIInChI=1S/C10H17NO2S/c1-7-2-8(3-7)4-11-5-10-9(11)6-14(10,12)13/h7-10H,2-6H2,1H3
InChIKeyYTTIADUZKBBWIL-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.51
Rot. Bonds2

About 5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide

5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide (PubChem CID 123498797) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide.

Molecular Properties

Compound Name5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide
PubChem CID123498797
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide
SMILESCC1CC(CN2CC3C2CS3(=O)=O)C1
InChIInChI=1S/C10H17NO2S/c1-7-2-8(3-7)4-11-5-10-9(11)6-14(10,12)13/h7-10H,2-6H2,1H3
InChIKeyYTTIADUZKBBWIL-UHFFFAOYSA-N
XLogP0.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 300289
(2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide
CID 92856900
2,2-Dimethyl-3-piperidin-1-ylthietane 1,1-dioxide
CID 284318
N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine
CID 71861030
4-(Cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
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1-[1-(3-Methylbutylsulfonyl)pentan-2-yl]piperidine
CID 9860773
4-(4-Methylpentyl)-1,4-thiazinane 1,1-dioxide
CID 20811836
4-(3-Propan-2-ylazetidin-1-yl)thiane 1,1-dioxide
CID 58054364
4-(3-Propan-2-ylcyclobutyl)-1,4-thiazinane 1,1-dioxide
CID 68067999
4-[(3-Ethylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 68316840
4-[1-(3-Methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide
CID 91068906
4-[(3-Methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 123305660

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide?
The IUPAC name of 5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide (CID 123498797) is 5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide.
What is the SMILES notation for 5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide?
The canonical SMILES for 5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide is CC1CC(CN2CC3C2CS3(=O)=O)C1.
What is the InChIKey of 5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide?
The InChIKey is YTTIADUZKBBWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-7-2-8(3-7)4-11-5-10-9(11)6-14(10,12)13/h7-10H,2-6H2,1H3.
What are the key properties of 5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide?
5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide has a molecular weight of 215.32 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclobutyl)methyl]-2λ6-thia-5-azabicyclo[2.2.0]hexane 2,2-dioxide is sourced from PubChem (CID 123498797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).