tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate

C12H25NO2S — CID 166127236

IUPACtert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate
SMILESCCSCC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-7-16-9-12(5,6)8-13-10(14)15-11(2,3)4/h7-9H2,1-6H3,(H,13,14)
InChIKeyGJDINUVFVHHTOZ-UHFFFAOYSA-N
MW247.40 g/mol
LogP3.29
Rot. Bonds5

About tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate

tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate (PubChem CID 166127236) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate
PubChem CID166127236
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Nametert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate
SMILESCCSCC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-7-16-9-12(5,6)8-13-10(14)15-11(2,3)4/h7-9H2,1-6H3,(H,13,14)
InChIKeyGJDINUVFVHHTOZ-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[2-(2-ethylsulfanylethyl)-2-(hydroxymethyl)pentyl]carbamate
CID 106507524
tert-butyl N-[2-methyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]disulfanyl]propyl]carbamate
CID 140880756
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate
CID 123711756
tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate
CID 139538581
tert-butyl N-[5-ethylsulfanyl-2-(hydroxymethyl)-2-propylpentyl]carbamate
CID 106507472
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate?
The IUPAC name of tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate (CID 166127236) is tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate is CCSCC(C)(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate?
The InChIKey is GJDINUVFVHHTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-7-16-9-12(5,6)8-13-10(14)15-11(2,3)4/h7-9H2,1-6H3,(H,13,14).
What are the key properties of tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate?
tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate has a molecular weight of 247.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 166127236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).