1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride

C10H14BrClN2OS — CID 119688940

IUPAC1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCN(Cc1ccc(Br)s1)C(=O)C1(N)CC1.Cl
InChIInChI=1S/C10H13BrN2OS.ClH/c1-13(9(14)10(12)4-5-10)6-7-2-3-8(11)15-7;/h2-3H,4-6,12H2,1H3;1H
InChIKeyCWYQCEHKWAOFDP-UHFFFAOYSA-N
MW325.66 g/mol
LogP2.38
Rot. Bonds3

About 1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride

1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119688940) has the molecular formula C10H14BrClN2OS and a molecular weight of 325.66 g/mol. Its IUPAC name is 1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119688940
Molecular FormulaC10H14BrClN2OS
Molecular Weight325.66 g/mol
Exact Mass323.97
IUPAC Name1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCN(Cc1ccc(Br)s1)C(=O)C1(N)CC1.Cl
InChIInChI=1S/C10H13BrN2OS.ClH/c1-13(9(14)10(12)4-5-10)6-7-2-3-8(11)15-7;/h2-3H,4-6,12H2,1H3;1H
InChIKeyCWYQCEHKWAOFDP-UHFFFAOYSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.66
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
CID 119317853
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119688975
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 115154691
N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide
CID 115158927
1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189906
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
CID 115156082
2-(1-aminocyclopentyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 64685075
1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119689266

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride (CID 119688940) is 1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride is CN(Cc1ccc(Br)s1)C(=O)C1(N)CC1.Cl.
What is the InChIKey of 1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is CWYQCEHKWAOFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS.ClH/c1-13(9(14)10(12)4-5-10)6-7-2-3-8(11)15-7;/h2-3H,4-6,12H2,1H3;1H.
What are the key properties of 1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 325.66 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119688940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).