N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride

C12H18BrClN2OS — CID 119742244

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
SMILESCN(Cc1csc(Br)c1)C(=O)CNCC1CC1.Cl
InChIInChI=1S/C12H17BrN2OS.ClH/c1-15(7-10-4-11(13)17-8-10)12(16)6-14-5-9-2-3-9;/h4,8-9,14H,2-3,5-7H2,1H3;1H
InChIKeyBYRUKNKLTHKXJQ-UHFFFAOYSA-N
MW353.71 g/mol
LogP2.89
Rot. Bonds6

About N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride

N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride (PubChem CID 119742244) has the molecular formula C12H18BrClN2OS and a molecular weight of 353.71 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
PubChem CID119742244
Molecular FormulaC12H18BrClN2OS
Molecular Weight353.71 g/mol
Exact Mass352.00
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
SMILESCN(Cc1csc(Br)c1)C(=O)CNCC1CC1.Cl
InChIInChI=1S/C12H17BrN2OS.ClH/c1-15(7-10-4-11(13)17-8-10)12(16)6-14-5-9-2-3-9;/h4,8-9,14H,2-3,5-7H2,1H3;1H
InChIKeyBYRUKNKLTHKXJQ-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.71
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
CID 103707088
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 54872632
2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide
CID 79328638
5-bromo-N-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 75467426
2-(cyclopropylmethylamino)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylacetamide
CID 119766880
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63502049
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119690320
N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 60937097
2-(cyclopropylmethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)acetamide
CID 60936784
2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 119958237

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride (CID 119742244) is N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride is CN(Cc1csc(Br)c1)C(=O)CNCC1CC1.Cl.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride?
The InChIKey is BYRUKNKLTHKXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS.ClH/c1-15(7-10-4-11(13)17-8-10)12(16)6-14-5-9-2-3-9;/h4,8-9,14H,2-3,5-7H2,1H3;1H.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride?
N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride has a molecular weight of 353.71 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119742244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).