tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate

C15H24N2O4S — CID 155937165

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NN(Cc1ccsc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4S/c1-14(2,3)20-12(18)16-17(9-11-7-8-22-10-11)13(19)21-15(4,5)6/h7-8,10H,9H2,1-6H3,(H,16,18)
InChIKeyFIUCUKPOPUSUPX-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.92
Rot. Bonds2

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate (PubChem CID 155937165) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate
PubChem CID155937165
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NN(Cc1ccsc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4S/c1-14(2,3)20-12(18)16-17(9-11-7-8-22-10-11)13(19)21-15(4,5)6/h7-8,10H,9H2,1-6H3,(H,16,18)
InChIKeyFIUCUKPOPUSUPX-UHFFFAOYSA-N
XLogP3.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)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-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate (CID 155937165) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate is CC(C)(C)OC(=O)NN(Cc1ccsc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate?
The InChIKey is FIUCUKPOPUSUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-14(2,3)20-12(18)16-17(9-11-7-8-22-10-11)13(19)21-15(4,5)6/h7-8,10H,9H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate has a molecular weight of 328.43 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(thiophen-3-ylmethyl)carbamate is sourced from PubChem (CID 155937165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).