tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate

C13H22N2O2S — CID 155970858

IUPACtert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate
SMILESCN(CC[C@@H](N)c1cccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O2S/c1-13(2,3)17-12(16)15(4)8-7-10(14)11-6-5-9-18-11/h5-6,9-10H,7-8,14H2,1-4H3/t10-/m1/s1
InChIKeyMZFWCBSIPZKVKZ-SNVBAGLBSA-N
MW270.40 g/mol
LogP3.00
Rot. Bonds4

About tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate

tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate (PubChem CID 155970858) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate
PubChem CID155970858
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Nametert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate
SMILESCN(CC[C@@H](N)c1cccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O2S/c1-13(2,3)17-12(16)15(4)8-7-10(14)11-6-5-9-18-11/h5-6,9-10H,7-8,14H2,1-4H3/t10-/m1/s1
InChIKeyMZFWCBSIPZKVKZ-SNVBAGLBSA-N
XLogP3.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate (CID 155970858) is tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate is CN(CC[C@@H](N)c1cccs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate?
The InChIKey is MZFWCBSIPZKVKZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-13(2,3)17-12(16)15(4)8-7-10(14)11-6-5-9-18-11/h5-6,9-10H,7-8,14H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate?
tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate has a molecular weight of 270.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-amino-3-thiophen-2-ylpropyl]-N-methylcarbamate is sourced from PubChem (CID 155970858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).