(5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine

C8H15NO3S — CID 95335768

IUPAC(5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine
SMILESN[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1
InChIInChI=1S/C8H15NO3S/c9-7-1-3-12-8(5-7)2-4-13(10,11)6-8/h7H,1-6,9H2/t7-,8-/m0/s1
InChIKeyMMTJOUXZLPXXSE-YUMQZZPRSA-N
MW205.28 g/mol
LogP-0.32
Rot. Bonds

About (5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine

(5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine (PubChem CID 95335768) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is (5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine
PubChem CID95335768
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name(5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine
SMILESN[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1
InChIInChI=1S/C8H15NO3S/c9-7-1-3-12-8(5-7)2-4-13(10,11)6-8/h7H,1-6,9H2/t7-,8-/m0/s1
InChIKeyMMTJOUXZLPXXSE-YUMQZZPRSA-N
XLogP-0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxaspiro[3.5]nonane-2,8-diamine
CID 167736424
9,9-dioxo-1-oxa-9λ6-thiaspiro[5.5]undecane-4-carboxylic acid
CID 131461751
8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 126812350
(4S,6R)-8-methyl-1-oxa-8-azaspiro[5.5]undecan-4-amine
CID 99110024
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
1-(3,5-dichlorophenyl)-3-[(5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]urea
CID 99781045
3-(6-oxaspiro[4.5]decan-9-yl)-1,1-dioxothiolane-3-carboxylic acid
CID 115337903
(5S,9R)-N-[(3,5-dimethoxyphenyl)methyl]-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine
CID 99776740
2-(4-butylphenyl)-N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]acetamide
CID 97258884
N-[[4-(3,5-difluorophenoxy)phenyl]methyl]-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine
CID 86771267
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1,1-dioxothiolane-3-carboxylic acid
CID 115337933
N-[(5S,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 99780978

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine?
The IUPAC name of (5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine (CID 95335768) is (5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for (5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine is N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1.
What is the InChIKey of (5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine?
The InChIKey is MMTJOUXZLPXXSE-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO3S/c9-7-1-3-12-8(5-7)2-4-13(10,11)6-8/h7H,1-6,9H2/t7-,8-/m0/s1.
What are the key properties of (5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine?
(5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine has a molecular weight of 205.28 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 95335768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).