tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate

C13H20N2O3S — CID 138987821

IUPACtert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate
SMILES[H]N=S(=O)(CCNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)18-12(16)15-9-10-19(14,17)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3,(H,15,16)
InChIKeyNVLGGSQEDUVBJJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.62
Rot. Bonds4

About tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate

tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate (PubChem CID 138987821) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate
PubChem CID138987821
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nametert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate
SMILES[H]N=S(=O)(CCNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)18-12(16)15-9-10-19(14,17)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3,(H,15,16)
InChIKeyNVLGGSQEDUVBJJ-UHFFFAOYSA-N
XLogP2.62
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate (CID 138987821) is tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate is [H]N=S(=O)(CCNC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate?
The InChIKey is NVLGGSQEDUVBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2,3)18-12(16)15-9-10-19(14,17)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate?
tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate has a molecular weight of 284.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(phenylsulfonimidoyl)ethyl]carbamate is sourced from PubChem (CID 138987821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).