(2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one

C13H24N2O2S — CID 99703756

IUPAC(2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one
SMILESCSCC[C@@H](N)C(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C13H24N2O2S/c1-18-9-4-11(14)12(16)15-7-8-17-13(10-15)5-2-3-6-13/h11H,2-10,14H2,1H3/t11-/m1/s1
InChIKeyMGOMLAYRMWRZHZ-LLVKDONJSA-N
MW272.41 g/mol
LogP1.24
Rot. Bonds4

About (2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one

(2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one (PubChem CID 99703756) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one
PubChem CID99703756
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name(2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one
SMILESCSCC[C@@H](N)C(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C13H24N2O2S/c1-18-9-4-11(14)12(16)15-7-8-17-13(10-15)5-2-3-6-13/h11H,2-10,14H2,1H3/t11-/m1/s1
InChIKeyMGOMLAYRMWRZHZ-LLVKDONJSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 119294273
(2S)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 119315111
(2R)-2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124595801
(2R)-2-amino-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129499000
(2S)-2-amino-1-(3-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 61148925
(2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one
CID 104908986
(2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129494213
(2S)-2-amino-1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 154918548
1-[(2R)-2-amino-4-methylsulfanylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 104908422
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one
CID 61430245
(2S)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-4-methylsulfanylbutan-1-one
CID 106668824
(2S)-2-amino-4-methylsulfanyl-1-[2-(oxolan-2-yl)morpholin-4-yl]butan-1-one
CID 119344999

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one (CID 99703756) is (2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one is CSCC[C@@H](N)C(=O)N1CCOC2(CCCC2)C1.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one?
The InChIKey is MGOMLAYRMWRZHZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-18-9-4-11(14)12(16)15-7-8-17-13(10-15)5-2-3-6-13/h11H,2-10,14H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one?
(2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one has a molecular weight of 272.41 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one is sourced from PubChem (CID 99703756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).