2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride

C12H18BrClN2OS — CID 75424655

IUPAC2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1cc(Br)cs1)C(=O)CC1(N)CCC1.Cl
InChIInChI=1S/C12H17BrN2OS.ClH/c1-15(7-10-5-9(13)8-17-10)11(16)6-12(14)3-2-4-12;/h5,8H,2-4,6-7,14H2,1H3;1H
InChIKeyTUIZGWKSSJMEEH-UHFFFAOYSA-N
MW353.71 g/mol
LogP3.16
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride

2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride (PubChem CID 75424655) has the molecular formula C12H18BrClN2OS and a molecular weight of 353.71 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
PubChem CID75424655
Molecular FormulaC12H18BrClN2OS
Molecular Weight353.71 g/mol
Exact Mass352.00
IUPAC Name2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1cc(Br)cs1)C(=O)CC1(N)CCC1.Cl
InChIInChI=1S/C12H17BrN2OS.ClH/c1-15(7-10-5-9(13)8-17-10)11(16)6-12(14)3-2-4-12;/h5,8H,2-4,6-7,14H2,1H3;1H
InChIKeyTUIZGWKSSJMEEH-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.71
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 64683694
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 64676894
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119731612
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183743
2-[1-[[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81156334
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 81087845
2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 79853909
2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 79854781
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 115160506
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 55028858

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride (CID 75424655) is 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride is CN(Cc1cc(Br)cs1)C(=O)CC1(N)CCC1.Cl.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride?
The InChIKey is TUIZGWKSSJMEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS.ClH/c1-15(7-10-5-9(13)8-17-10)11(16)6-12(14)3-2-4-12;/h5,8H,2-4,6-7,14H2,1H3;1H.
What are the key properties of 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride?
2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride has a molecular weight of 353.71 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 75424655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).