tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate

C14H26N2O4S — CID 10381224

IUPACtert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate
SMILESCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O4S/c1-14(2,3)20-13(18)15-11(5-10-21-4)12(17)16-6-8-19-9-7-16/h11H,5-10H2,1-4H3,(H,15,18)/t11-/m0/s1
InChIKeyOXGMPBMKCRSRGR-NSHDSACASA-N
MW318.44 g/mol
LogP1.49
Rot. Bonds5

About tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate (PubChem CID 10381224) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate
PubChem CID10381224
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Nametert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate
SMILESCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O4S/c1-14(2,3)20-13(18)15-11(5-10-21-4)12(17)16-6-8-19-9-7-16/h11H,5-10H2,1-4H3,(H,15,18)/t11-/m0/s1
InChIKeyOXGMPBMKCRSRGR-NSHDSACASA-N
XLogP1.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate (CID 10381224) is tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate is CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1.
What is the InChIKey of tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate?
The InChIKey is OXGMPBMKCRSRGR-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-14(2,3)20-13(18)15-11(5-10-21-4)12(17)16-6-8-19-9-7-16/h11H,5-10H2,1-4H3,(H,15,18)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate has a molecular weight of 318.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 10381224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).