tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate

C17H30N2O2S — CID 107444710

IUPACtert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)c1cccs1
InChIInChI=1S/C17H30N2O2S/c1-13(14-9-8-12-22-14)18-10-11-19(16(2,3)4)15(20)21-17(5,6)7/h8-9,12-13,18H,10-11H2,1-7H3
InChIKeyZOCAXMNTSKVUTE-UHFFFAOYSA-N
MW326.51 g/mol
LogP4.43
Rot. Bonds5

About tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate (PubChem CID 107444710) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate
PubChem CID107444710
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Nametert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)c1cccs1
InChIInChI=1S/C17H30N2O2S/c1-13(14-9-8-12-22-14)18-10-11-19(16(2,3)4)15(20)21-17(5,6)7/h8-9,12-13,18H,10-11H2,1-7H3
InChIKeyZOCAXMNTSKVUTE-UHFFFAOYSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107245927
tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate
CID 107445705
tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate
CID 107445532
tert-butyl N-[3-methyl-2-[(1-thiophen-2-ylethylamino)methyl]butyl]carbamate
CID 107441231
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate
CID 107446234
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
N'-methyl-N-(1-thiophen-2-ylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62561217
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830
tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate
CID 103906226
tert-butyl 2-(1-thiophen-2-ylethylamino)propanoate
CID 64686931

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate (CID 107444710) is tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate is CC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate?
The InChIKey is ZOCAXMNTSKVUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2S/c1-13(14-9-8-12-22-14)18-10-11-19(16(2,3)4)15(20)21-17(5,6)7/h8-9,12-13,18H,10-11H2,1-7H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate has a molecular weight of 326.51 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate is sourced from PubChem (CID 107444710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).