tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate

C17H28N2O2S — CID 103695776

IUPACtert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate
SMILESCC(NC1CCCC1CNC(=O)OC(C)(C)C)c1ccsc1
InChIInChI=1S/C17H28N2O2S/c1-12(14-8-9-22-11-14)19-15-7-5-6-13(15)10-18-16(20)21-17(2,3)4/h8-9,11-13,15,19H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyYCXVTJLXMLXXQE-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.09
Rot. Bonds5

About tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate (PubChem CID 103695776) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate
PubChem CID103695776
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Nametert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate
SMILESCC(NC1CCCC1CNC(=O)OC(C)(C)C)c1ccsc1
InChIInChI=1S/C17H28N2O2S/c1-12(14-8-9-22-11-14)19-15-7-5-6-13(15)10-18-16(20)21-17(2,3)4/h8-9,11-13,15,19H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyYCXVTJLXMLXXQE-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate (CID 103695776) is tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate is CC(NC1CCCC1CNC(=O)OC(C)(C)C)c1ccsc1.
What is the InChIKey of tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate?
The InChIKey is YCXVTJLXMLXXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-12(14-8-9-22-11-14)19-15-7-5-6-13(15)10-18-16(20)21-17(2,3)4/h8-9,11-13,15,19H,5-7,10H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate has a molecular weight of 324.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).