4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide

C15H28N2O3S — CID 156566263

IUPAC4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide
SMILESCC(CCC(C)N1CC2(COC2)C1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H28N2O3S/c1-13(16-5-7-21(18,19)8-6-16)3-4-14(2)17-9-15(10-17)11-20-12-15/h13-14H,3-12H2,1-2H3
InChIKeyLHJYHRYLHGGIBZ-UHFFFAOYSA-N
MW316.47 g/mol
LogP0.61
Rot. Bonds5

About 4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide

4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 156566263) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID156566263
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide
SMILESCC(CCC(C)N1CC2(COC2)C1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H28N2O3S/c1-13(16-5-7-21(18,19)8-6-16)3-4-14(2)17-9-15(10-17)11-20-12-15/h13-14H,3-12H2,1-2H3
InChIKeyLHJYHRYLHGGIBZ-UHFFFAOYSA-N
XLogP0.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 60914870
3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
CID 104550741
4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide
CID 91110830
2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 43581307
6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 139492037
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine
CID 62433248
4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide
CID 63571628
methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 159337288
3-(1,1-dioxo-1,4-thiazepan-4-yl)-N-propylbutan-1-amine
CID 114083772
6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane
CID 170384687
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide
CID 129190094

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide (CID 156566263) is 4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide is CC(CCC(C)N1CC2(COC2)C1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is LHJYHRYLHGGIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-13(16-5-7-21(18,19)8-6-16)3-4-14(2)17-9-15(10-17)11-20-12-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide?
4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 316.47 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 156566263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).