tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate

C14H24BrN3O2S — CID 102729813

IUPACtert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate
SMILESCN(Cc1csc(Br)c1)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H24BrN3O2S/c1-14(2,3)20-13(19)17-7-11(6-16)18(4)8-10-5-12(15)21-9-10/h5,9,11H,6-8,16H2,1-4H3,(H,17,19)
InChIKeyLIJASNDLESNQGR-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.79
Rot. Bonds6

About tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate

tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate (PubChem CID 102729813) has the molecular formula C14H24BrN3O2S and a molecular weight of 378.34 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate
PubChem CID102729813
Molecular FormulaC14H24BrN3O2S
Molecular Weight378.34 g/mol
Exact Mass377.08
IUPAC Nametert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate
SMILESCN(Cc1csc(Br)c1)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H24BrN3O2S/c1-14(2,3)20-13(19)17-7-11(6-16)18(4)8-10-5-12(15)21-9-10/h5,9,11H,6-8,16H2,1-4H3,(H,17,19)
InChIKeyLIJASNDLESNQGR-UHFFFAOYSA-N
XLogP2.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-[(5-bromothiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257496
N'-[(5-bromothiophen-3-yl)methyl]-N-ethyloxamide
CID 56786386
tert-butyl N-[(2-bromothiophen-3-yl)methyl]carbamate
CID 24229570
tert-butyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 63789229
tert-butyl N-[3-[(5-bromothiophen-3-yl)methylamino]propyl]carbamate
CID 103647190
tert-butyl N-[(5-bromothiophen-3-yl)methyl]carbamate
CID 105526956
tert-butyl N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]carbamate
CID 139674638
Tert-butyl 4-[(5-bromothiophen-3-yl)methyl]-3-oxopiperazine-1-carboxylate
CID 141389300
N-[2-[(5-bromothiophen-3-yl)methylamino]ethyl]acetamide
CID 37654329
N-[2-[(5-bromothiophen-3-yl)methylamino]ethyl]-2-methylpropanamide
CID 43431968
2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide
CID 43431987
2-[(5-bromothiophen-3-yl)methylamino]-N-propan-2-ylacetamide
CID 43432024

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate (CID 102729813) is tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate is CN(Cc1csc(Br)c1)C(CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate?
The InChIKey is LIJASNDLESNQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O2S/c1-14(2,3)20-13(19)17-7-11(6-16)18(4)8-10-5-12(15)21-9-10/h5,9,11H,6-8,16H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate?
tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate has a molecular weight of 378.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate is sourced from PubChem (CID 102729813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).