2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide

C17H23BrN2OS — CID 166384703

IUPAC2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide
SMILESNC1(C(=O)NCC2(c3ccc(Br)s3)CCC2)CCCC2CC21
InChIInChI=1S/C17H23BrN2OS/c18-14-5-4-13(22-14)16(6-2-7-16)10-20-15(21)17(19)8-1-3-11-9-12(11)17/h4-5,11-12H,1-3,6-10,19H2,(H,20,21)
InChIKeyUNLPDSOPISKJGF-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.57
Rot. Bonds4

About 2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide

2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide (PubChem CID 166384703) has the molecular formula C17H23BrN2OS and a molecular weight of 383.36 g/mol. Its IUPAC name is 2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide
PubChem CID166384703
Molecular FormulaC17H23BrN2OS
Molecular Weight383.36 g/mol
Exact Mass382.07
IUPAC Name2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide
SMILESNC1(C(=O)NCC2(c3ccc(Br)s3)CCC2)CCCC2CC21
InChIInChI=1S/C17H23BrN2OS/c18-14-5-4-13(22-14)16(6-2-7-16)10-20-15(21)17(19)8-1-3-11-9-12(11)17/h4-5,11-12H,1-3,6-10,19H2,(H,20,21)
InChIKeyUNLPDSOPISKJGF-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide with MolForge

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Related Compounds

1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea
CID 154745564
N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 138999740
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 81173121
2-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-1-cyclopropyl-1-methylguanidine
CID 120973045
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82765475
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119292901
cis-(1R,3S)-3-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319772
[2-(3-bromoanilino)-2-bicyclo[4.1.0]heptanyl]methanol
CID 112740420
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121178927
1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115190069
1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847298

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide?
The IUPAC name of 2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide (CID 166384703) is 2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide.
What is the SMILES notation for 2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide?
The canonical SMILES for 2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide is NC1(C(=O)NCC2(c3ccc(Br)s3)CCC2)CCCC2CC21.
What is the InChIKey of 2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide?
The InChIKey is UNLPDSOPISKJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2OS/c18-14-5-4-13(22-14)16(6-2-7-16)10-20-15(21)17(19)8-1-3-11-9-12(11)17/h4-5,11-12H,1-3,6-10,19H2,(H,20,21).
What are the key properties of 2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide?
2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide is sourced from PubChem (CID 166384703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).