tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate

C16H25NO2S — CID 134320057

IUPACtert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate
SMILESCCSc1ccc(CNC(=O)OC(C)(C)C)c(CC)c1
InChIInChI=1S/C16H25NO2S/c1-6-12-10-14(20-7-2)9-8-13(12)11-17-15(18)19-16(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,17,18)
InChIKeyYKHMYOICIXOHOY-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.39
Rot. Bonds5

About tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate

tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate (PubChem CID 134320057) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate
PubChem CID134320057
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Nametert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate
SMILESCCSc1ccc(CNC(=O)OC(C)(C)C)c(CC)c1
InChIInChI=1S/C16H25NO2S/c1-6-12-10-14(20-7-2)9-8-13(12)11-17-15(18)19-16(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,17,18)
InChIKeyYKHMYOICIXOHOY-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]carbamate
CID 177190590
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
CID 136664415
tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
tert-butyl N-[(2-fluoro-4-methylphenyl)methyl]carbamate
CID 158865202
3-chloro-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 22027774
tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate
CID 115644655
tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate
CID 134320079
tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate
CID 102538086
[4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
CID 59463172
tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
CID 118168082

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate (CID 134320057) is tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate is CCSc1ccc(CNC(=O)OC(C)(C)C)c(CC)c1.
What is the InChIKey of tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate?
The InChIKey is YKHMYOICIXOHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-6-12-10-14(20-7-2)9-8-13(12)11-17-15(18)19-16(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate?
tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate has a molecular weight of 295.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate is sourced from PubChem (CID 134320057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).