tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate

C14H23BrN2O2S — CID 107247394

IUPACtert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate
SMILESCC(CNC(C)c1sccc1Br)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H23BrN2O2S/c1-9(17-13(18)19-14(3,4)5)8-16-10(2)12-11(15)6-7-20-12/h6-7,9-10,16H,8H2,1-5H3,(H,17,18)
InChIKeyJKTUUFJCOJRAAX-UHFFFAOYSA-N
MW363.32 g/mol
LogP4.07
Rot. Bonds5

About tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate

tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate (PubChem CID 107247394) has the molecular formula C14H23BrN2O2S and a molecular weight of 363.32 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate
PubChem CID107247394
Molecular FormulaC14H23BrN2O2S
Molecular Weight363.32 g/mol
Exact Mass362.07
IUPAC Nametert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate
SMILESCC(CNC(C)c1sccc1Br)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H23BrN2O2S/c1-9(17-13(18)19-14(3,4)5)8-16-10(2)12-11(15)6-7-20-12/h6-7,9-10,16H,8H2,1-5H3,(H,17,18)
InChIKeyJKTUUFJCOJRAAX-UHFFFAOYSA-N
XLogP4.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]butan-2-yl]carbamate
CID 107250123
tert-butyl N-[2-[1-(3-bromothiophen-2-yl)ethylamino]butyl]carbamate
CID 107250780
tert-butyl N-[4-[1-(3-bromothiophen-2-yl)ethylamino]cyclohexyl]carbamate
CID 103785654
tert-butyl N-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]-N-propylcarbamate
CID 107246033
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107239784
tert-butyl N-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]-N-cyclopropylcarbamate
CID 107246317
tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate
CID 90458389
N-[1-(3-bromothiophen-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 60815874
methyl 2-(4-bromophenyl)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetate
CID 169115192
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
tert-butyl 2-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
CID 107244377

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate (CID 107247394) is tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate is CC(CNC(C)c1sccc1Br)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate?
The InChIKey is JKTUUFJCOJRAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S/c1-9(17-13(18)19-14(3,4)5)8-16-10(2)12-11(15)6-7-20-12/h6-7,9-10,16H,8H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate?
tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate has a molecular weight of 363.32 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate is sourced from PubChem (CID 107247394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).