tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane

C15H34N2O4S — CID 143025368

IUPACtert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane
SMILESCC.CCS(=O)(=O)NCC(NC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H28N2O4S.C2H6/c1-8-20(17,18)14-9-10(12(2,3)4)15-11(16)19-13(5,6)7;1-2/h10,14H,8-9H2,1-7H3,(H,15,16);1-2H3
InChIKeyJHLIOFQHIPSNMW-UHFFFAOYSA-N
MW338.51 g/mol
LogP2.89
Rot. Bonds5

About tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane

tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane (PubChem CID 143025368) has the molecular formula C15H34N2O4S and a molecular weight of 338.51 g/mol. Its IUPAC name is tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane
PubChem CID143025368
Molecular FormulaC15H34N2O4S
Molecular Weight338.51 g/mol
Exact Mass338.22
IUPAC Nametert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane
SMILESCC.CCS(=O)(=O)NCC(NC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H28N2O4S.C2H6/c1-8-20(17,18)14-9-10(12(2,3)4)15-11(16)19-13(5,6)7;1-2/h10,14H,8-9H2,1-7H3,(H,15,16);1-2H3
InChIKeyJHLIOFQHIPSNMW-UHFFFAOYSA-N
XLogP2.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate
CID 159293264
tert-butyl N-[(2R)-1-(2-bromoethoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
CID 91601633
tert-butyl N-(1,1,1-trifluoro-4,4-dimethylpentan-3-yl)carbamate
CID 59458915
methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
CID 20805046
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
CID 130666310
tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate
CID 116861265
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
CID 86663657
tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate
CID 87529067
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane?
The IUPAC name of tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane (CID 143025368) is tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane is CC.CCS(=O)(=O)NCC(NC(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane?
The InChIKey is JHLIOFQHIPSNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4S.C2H6/c1-8-20(17,18)14-9-10(12(2,3)4)15-11(16)19-13(5,6)7;1-2/h10,14H,8-9H2,1-7H3,(H,15,16);1-2H3.
What are the key properties of tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane?
tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane has a molecular weight of 338.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane is sourced from PubChem (CID 143025368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).