(2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one

C8H16N2O2S — CID 104908986

IUPAC(2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one
SMILESCSCC[C@@H](N)C(=O)N1CCCO1
InChIInChI=1S/C8H16N2O2S/c1-13-6-3-7(9)8(11)10-4-2-5-12-10/h7H,2-6,9H2,1H3/t7-/m1/s1
InChIKeyXYCKLPCPHFWKIV-SSDOTTSWSA-N
MW204.29 g/mol
LogP0.23
Rot. Bonds4

About (2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one

(2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one (PubChem CID 104908986) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one
PubChem CID104908986
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name(2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one
SMILESCSCC[C@@H](N)C(=O)N1CCCO1
InChIInChI=1S/C8H16N2O2S/c1-13-6-3-7(9)8(11)10-4-2-5-12-10/h7H,2-6,9H2,1H3/t7-/m1/s1
InChIKeyXYCKLPCPHFWKIV-SSDOTTSWSA-N
XLogP0.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one with MolForge

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Related Compounds

(2S)-1-[(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-amino-4-methylsulfanylbutan-1-one
CID 99852577
(2S)-2-amino-1-(3-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 61148925
(2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one
CID 99703756
(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
CID 54233677
(2S)-2-amino-4-methylsulfanyl-1-[2-(oxolan-2-yl)morpholin-4-yl]butan-1-one
CID 119344999
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 119294273
(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-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 91636201
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one
CID 104906985
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104908334
(2S)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 119315111

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one (CID 104908986) is (2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one is CSCC[C@@H](N)C(=O)N1CCCO1.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one?
The InChIKey is XYCKLPCPHFWKIV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-13-6-3-7(9)8(11)10-4-2-5-12-10/h7H,2-6,9H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one?
(2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one has a molecular weight of 204.29 g/mol, XLogP of 0.23, 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-(1,2-oxazolidin-2-yl)butan-1-one is sourced from PubChem (CID 104908986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).