tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate

C12H20N2O2S — CID 71214616

IUPACtert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCc1cccs1
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)16-11(15)14-7-6-13-9-10-5-4-8-17-10/h4-5,8,13H,6-7,9H2,1-3H3,(H,14,15)
InChIKeyTUZZGBYLGABYGO-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.36
Rot. Bonds5

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

tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate (PubChem CID 71214616) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
PubChem CID71214616
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nametert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCc1cccs1
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)16-11(15)14-7-6-13-9-10-5-4-8-17-10/h4-5,8,13H,6-7,9H2,1-3H3,(H,14,15)
InChIKeyTUZZGBYLGABYGO-UHFFFAOYSA-N
XLogP2.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(E)-4-(thiophen-2-ylmethylamino)but-2-enyl]carbamate
CID 107253094
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CID 14418525
tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
CID 67704750
methyl 2-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]thiophen-2-yl]acetate
CID 103933670
tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate
CID 115644655
3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 103019853
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
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tert-butyl 2-oxo-2-(2-thiophen-2-ylethylamino)acetate
CID 115141760
tert-butyl N-(1-chloro-2-thiophen-2-ylethyl)carbamate
CID 70494675
tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
CID 134029504
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]benzoic acid
CID 107241445

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate (CID 71214616) is tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNCc1cccs1.
What is the InChIKey of tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate?
The InChIKey is TUZZGBYLGABYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2,3)16-11(15)14-7-6-13-9-10-5-4-8-17-10/h4-5,8,13H,6-7,9H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate?
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate has a molecular weight of 256.37 g/mol, XLogP of 2.36, 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-(thiophen-2-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 71214616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).