1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide

C12H17BrN2OS — CID 115190069

IUPAC1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(N)CC1)c1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-11(2,8-3-4-9(13)17-8)7-15-10(16)12(14)5-6-12/h3-4H,5-7,14H2,1-2H3,(H,15,16)
InChIKeyHPMUTARKYJLBBT-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.40
Rot. Bonds4

About 1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide

1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide (PubChem CID 115190069) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide
PubChem CID115190069
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(N)CC1)c1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-11(2,8-3-4-9(13)17-8)7-15-10(16)12(14)5-6-12/h3-4H,5-7,14H2,1-2H3,(H,15,16)
InChIKeyHPMUTARKYJLBBT-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2R)-2-(aminomethyl)-1-(5-bromothiophen-2-yl)-N,N-diethylcyclopropane-1-carboxamide
CID 44448547
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 106048063
N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 115190381
N1-(tert-butyl)-N2-((1-(thiophen-2-yl)cyclopropyl)methyl)oxalamide
CID 30526037
N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939429
N-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylbutanamide
CID 57985604
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(5-bromothiophen-2-yl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide
CID 58024188
(2S)-2-[[(2S)-2-[[(2S)-3-(5-bromothiophen-2-yl)-2-(methylamino)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide
CID 70948823
N-[2-(4-bromothiophen-2-yl)cyclopropyl]-3,3-dimethylbutanamide
CID 122651627
(2S)-2-[2-(2-aminoethylamino)propanoylamino]-N-ethyl-3-methylbutanamide;2-bromo-5-ethylthiophene
CID 143299777
(2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide
CID 143606939
2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide
CID 143740250

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide (CID 115190069) is 1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide is CC(C)(CNC(=O)C1(N)CC1)c1ccc(Br)s1.
What is the InChIKey of 1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
The InChIKey is HPMUTARKYJLBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-11(2,8-3-4-9(13)17-8)7-15-10(16)12(14)5-6-12/h3-4H,5-7,14H2,1-2H3,(H,15,16).
What are the key properties of 1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115190069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).