tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate

C15H21NO2S — CID 10660338

IUPACtert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate
SMILESC/C=C(/CNC(=O)OC(C)(C)C)Sc1ccccc1
InChIInChI=1S/C15H21NO2S/c1-5-12(19-13-9-7-6-8-10-13)11-16-14(17)18-15(2,3)4/h5-10H,11H2,1-4H3,(H,16,17)/b12-5-
InChIKeyQIUJVRWBMDAXCX-XGICHPGQSA-N
MW279.40 g/mol
LogP4.21
Rot. Bonds4

About tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate

tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate (PubChem CID 10660338) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate
PubChem CID10660338
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Nametert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate
SMILESC/C=C(/CNC(=O)OC(C)(C)C)Sc1ccccc1
InChIInChI=1S/C15H21NO2S/c1-5-12(19-13-9-7-6-8-10-13)11-16-14(17)18-15(2,3)4/h5-10H,11H2,1-4H3,(H,16,17)/b12-5-
InChIKeyQIUJVRWBMDAXCX-XGICHPGQSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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S-phenyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
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[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
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tert-butyl N-[(Z)-2-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate
CID 10981687
tert-butyl N-(anilinomethyl)carbamate
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tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
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2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409
tert-butyl N-(2-phenylethyl)carbamate;ethane
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S-[(Z)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-1-enyl] benzenecarbothioate
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CID 69441199

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate (CID 10660338) is tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate is C/C=C(/CNC(=O)OC(C)(C)C)Sc1ccccc1.
What is the InChIKey of tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate?
The InChIKey is QIUJVRWBMDAXCX-XGICHPGQSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-5-12(19-13-9-7-6-8-10-13)11-16-14(17)18-15(2,3)4/h5-10H,11H2,1-4H3,(H,16,17)/b12-5-.
What are the key properties of tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate?
tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate has a molecular weight of 279.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate is sourced from PubChem (CID 10660338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).