tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate

C11H20N2O2S — CID 134600236

IUPACtert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate
SMILESC=C(N)SC(=C)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2S/c1-7(8(2)16-9(3)12)13-10(14)15-11(4,5)6/h7H,2-3,12H2,1,4-6H3,(H,13,14)/t7-/m1/s1
InChIKeyRFVQVIWEEONWKI-SSDOTTSWSA-N
MW244.36 g/mol
LogP2.58
Rot. Bonds4

About tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate

tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate (PubChem CID 134600236) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate
PubChem CID134600236
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Nametert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate
SMILESC=C(N)SC(=C)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2S/c1-7(8(2)16-9(3)12)13-10(14)15-11(4,5)6/h7H,2-3,12H2,1,4-6H3,(H,13,14)/t7-/m1/s1
InChIKeyRFVQVIWEEONWKI-SSDOTTSWSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(3S)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
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tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate (CID 134600236) is tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate is C=C(N)SC(=C)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate?
The InChIKey is RFVQVIWEEONWKI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-7(8(2)16-9(3)12)13-10(14)15-11(4,5)6/h7H,2-3,12H2,1,4-6H3,(H,13,14)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate?
tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate has a molecular weight of 244.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate is sourced from PubChem (CID 134600236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).