tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate

C11H24N2O3S — CID 103390998

IUPACtert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCCS(C)=O
InChIInChI=1S/C11H24N2O3S/c1-9(12-6-7-17(5)15)8-13-10(14)16-11(2,3)4/h9,12H,6-8H2,1-5H3,(H,13,14)
InChIKeyZJOCCHNVJLAZOY-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.87
Rot. Bonds6

About tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate

tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate (PubChem CID 103390998) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
PubChem CID103390998
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCCS(C)=O
InChIInChI=1S/C11H24N2O3S/c1-9(12-6-7-17(5)15)8-13-10(14)16-11(2,3)4/h9,12H,6-8H2,1-5H3,(H,13,14)
InChIKeyZJOCCHNVJLAZOY-UHFFFAOYSA-N
XLogP0.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(3-methylsulfinylpropylamino)propyl]carbamate
CID 103391026
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate
CID 103387660
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
CID 103389411
tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
CID 103389692
tert-butyl N-[3-(2-methylsulfinylethylamino)propyl]carbamate
CID 115747869
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
CID 107151588

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate (CID 103390998) is tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCCS(C)=O.
What is the InChIKey of tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate?
The InChIKey is ZJOCCHNVJLAZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-9(12-6-7-17(5)15)8-13-10(14)16-11(2,3)4/h9,12H,6-8H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate?
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate has a molecular weight of 264.39 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate is sourced from PubChem (CID 103390998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).