2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol

C7H13NO3S — CID 146666664

IUPAC2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol
SMILESCN1CC2(C1)C(O)CCS2(=O)=O
InChIInChI=1S/C7H13NO3S/c1-8-4-7(5-8)6(9)2-3-12(7,10)11/h6,9H,2-5H2,1H3
InChIKeyKVNIAMHHFWCXGQ-UHFFFAOYSA-N
MW191.25 g/mol
LogP-1.15
Rot. Bonds

About 2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol

2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol (PubChem CID 146666664) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol.

Molecular Properties

Compound Name2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol
PubChem CID146666664
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol
SMILESCN1CC2(C1)C(O)CCS2(=O)=O
InChIInChI=1S/C7H13NO3S/c1-8-4-7(5-8)6(9)2-3-12(7,10)11/h6,9H,2-5H2,1H3
InChIKeyKVNIAMHHFWCXGQ-UHFFFAOYSA-N
XLogP-1.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131669103
6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide
CID 90369892
2-methyl-5-oxa-2-azaspiro[3.4]octan-8-ol
CID 146666678
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol
CID 163338317
(6R,11R)-2-methyl-2-azaspiro[5.5]undecan-11-ol
CID 10986949
(3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170409631
[5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 131658277
1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol
CID 117019937
1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 146114421
1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 89224830

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol?
The IUPAC name of 2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol (CID 146666664) is 2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol.
What is the SMILES notation for 2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol?
The canonical SMILES for 2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol is CN1CC2(C1)C(O)CCS2(=O)=O.
What is the InChIKey of 2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol?
The InChIKey is KVNIAMHHFWCXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-8-4-7(5-8)6(9)2-3-12(7,10)11/h6,9H,2-5H2,1H3.
What are the key properties of 2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol?
2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol has a molecular weight of 191.25 g/mol, XLogP of -1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-8-ol is sourced from PubChem (CID 146666664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).