(2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one

C9H18N2O2S — CID 10082125

IUPAC(2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one
SMILESCSCC[C@H](N)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O2S/c1-14-7-2-8(10)9(12)11-3-5-13-6-4-11/h8H,2-7,10H2,1H3/t8-/m0/s1
InChIKeyAQZUBPSZTAQTFB-QMMMGPOBSA-N
MW218.32 g/mol
LogP-0.07
Rot. Bonds4

About (2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one

(2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one (PubChem CID 10082125) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one
PubChem CID10082125
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one
SMILESCSCC[C@H](N)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O2S/c1-14-7-2-8(10)9(12)11-3-5-13-6-4-11/h8H,2-7,10H2,1H3/t8-/m0/s1
InChIKeyAQZUBPSZTAQTFB-QMMMGPOBSA-N
XLogP-0.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-(morpholin-4-yl)butan-1-one
CID 22273198
(2S)-2-amino-1-(morpholin-4-yl)butan-1-one hydrochloride
CID 86690681
4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383072
3-(Morpholine-4-carbonyl)-1,4-thiazepan-5-one
CID 71798001
(2S)-2-amino-4-methylsulfanyl-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)butan-1-one
CID 91660198
H-Sar-Sar-N(EtOMe)Gly-D-Met-NHMe
CID 134950127
2-Amino-1-(4-methylpiperazin-1-yl)-4-(methylsulfanyl)butan-1-one
CID 18730590
(2S)-2-amino-4-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 63826551
(2R)-2-amino-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylsulfanylbutanamide
CID 105910116
(2S)-2-amino-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylsulfanylbutanamide
CID 105910276
(2R)-2-amino-4-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 113572117
1-Morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
CID 116615752

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one (CID 10082125) is (2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one is CSCC[C@H](N)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is AQZUBPSZTAQTFB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-14-7-2-8(10)9(12)11-3-5-13-6-4-11/h8H,2-7,10H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one?
(2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 218.32 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 10082125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).