4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide

C13H26N2O2S — CID 91068906

IUPAC4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide
SMILESCCC(C)CCN1CC(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C13H26N2O2S/c1-3-12(2)4-5-14-10-13(11-14)15-6-8-18(16,17)9-7-15/h12-13H,3-11H2,1-2H3
InChIKeyYXOAQTLIXLCVBI-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.84
Rot. Bonds5

About 4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide

4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 91068906) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID91068906
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide
SMILESCCC(C)CCN1CC(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C13H26N2O2S/c1-3-12(2)4-5-14-10-13(11-14)15-6-8-18(16,17)9-7-15/h12-13H,3-11H2,1-2H3
InChIKeyYXOAQTLIXLCVBI-UHFFFAOYSA-N
XLogP0.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 71968292
1-(2,4-Dimethylpentyl)-4-(2-methylsulfonylethyl)piperazine
CID 121521066
3-(3-Fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide
CID 178125667
1-(2-Methyl-1,1-dioxido-3-thietanyl)piperidine
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
4-(Cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71869605
1-[1-(3-Methylbutylsulfonyl)pentan-2-yl]piperidine
CID 9860773
1-(4-Methylpentyl)-4-(2-methylsulfonylethyl)piperazine
CID 20811799
4-(Ethylsulfonylmethyl)-1-propan-2-ylpiperidine
CID 57709506
4-(3-Propan-2-ylazetidin-1-yl)thiane 1,1-dioxide
CID 58054364
4-(Methylsulfonylmethyl)-1-propan-2-ylpiperidine
CID 58076203

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide (CID 91068906) is 4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide is CCC(C)CCN1CC(N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is YXOAQTLIXLCVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-3-12(2)4-5-14-10-13(11-14)15-6-8-18(16,17)9-7-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide?
4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 274.43 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylpentyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 91068906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).