tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate

C15H27N3O3S — CID 107257008

IUPACtert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CCNCc1sccc1N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O3S/c1-15(2,3)21-14(19)18(8-9-20-4)7-6-17-11-13-12(16)5-10-22-13/h5,10,17H,6-9,11,16H2,1-4H3
InChIKeyONNHNLNVTLPNQJ-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.30
Rot. Bonds8

About tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate

tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate (PubChem CID 107257008) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate
PubChem CID107257008
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Nametert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CCNCc1sccc1N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O3S/c1-15(2,3)21-14(19)18(8-9-20-4)7-6-17-11-13-12(16)5-10-22-13/h5,10,17H,6-9,11,16H2,1-4H3
InChIKeyONNHNLNVTLPNQJ-UHFFFAOYSA-N
XLogP2.30
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-methoxyethyl)-N-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]carbamate
CID 103880918
tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate
CID 103906226
tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256998
tert-butyl N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256902
tert-butyl 3-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]piperidine-1-carboxylate
CID 107249854
tert-butyl N,N-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]carbamate
CID 102129204
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346
tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]hexyl]carbamate
CID 107256585
tert-butyl N-propyl-N-[2-(pyridin-4-ylmethylamino)ethyl]carbamate
CID 103846743
tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 103906265
tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 75396673

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate (CID 107257008) is tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate is COCCN(CCNCc1sccc1N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate?
The InChIKey is ONNHNLNVTLPNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-15(2,3)21-14(19)18(8-9-20-4)7-6-17-11-13-12(16)5-10-22-13/h5,10,17H,6-9,11,16H2,1-4H3.
What are the key properties of tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate?
tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 329.47 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 107257008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).