tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate

C10H21NO3S — CID 23650782

IUPACtert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate
SMILESCCSC[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-5-15-7-8(6-12)11-9(13)14-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyFPGQDURJGQMNRR-QMMMGPOBSA-N
MW235.35 g/mol
LogP1.63
Rot. Bonds5

About tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate

tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate (PubChem CID 23650782) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate
PubChem CID23650782
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Nametert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate
SMILESCCSC[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-5-15-7-8(6-12)11-9(13)14-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyFPGQDURJGQMNRR-QMMMGPOBSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(3R)-4-ethylsulfanyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
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tert-butyl N-(4-amino-1-hydroxy-4-oxobutan-2-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate (CID 23650782) is tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate is CCSC[C@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate?
The InChIKey is FPGQDURJGQMNRR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-5-15-7-8(6-12)11-9(13)14-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate has a molecular weight of 235.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 23650782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).